{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.05856e-09 0.0 0.0 ] "source-value" [ 10.5856 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -5.4462e-10 9.064930000000001e-10 0.0 ] "source-value" [ -5.4462 9.06493 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.79622e-11 1.88792e-11 1.03176e-09 ] "source-value" [ -0.279622 0.188792 10.3176 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 1.4111239481290694e-09 -2.0557095633797186e-10 -1.5723114077176397e-09 ] [ -4.609824710610887e-09 4.766425779404755e-10 -5.193167444966781e-09 ] [ -2.021276544751457e-09 1.5327969257188493e-09 5.345144952468344e-09 ] [ -9.48694599427035e-10 1.1400919002890995e-09 5.424013538586183e-10 ] [ -3.5028115090524864e-10 1.485259864726727e-09 -7.395330050641882e-10 ] [ -3.7419727391161785e-09 -1.928588223973246e-09 1.289467633176146e-09 ] [ 2.4136170749999753e-09 -6.812387700223527e-10 5.088344719115616e-10 ] [ 5.711572198487366e-10 -1.5599337922336492e-09 -1.3578373161155443e-09 ] [ 6.420530546661504e-10 -5.463459126990278e-10 2.516637191935077e-09 ] [ -1.1695144319711328e-09 -5.775374075880865e-10 -2.4297684572965977e-09 ] [ -5.431793708256787e-10 1.1098726061735424e-09 2.6952380683444747e-09 ] [ 1.9958439135082023e-09 1.2111437871093792e-09 -2.855298556897974e-09 ] [ 2.494634660619293e-09 6.1102022332784965e-09 1.0863569792570747e-09 ] [ -3.0042878447840837e-10 -9.936643326019873e-10 8.194236196484353e-10 ] [ 6.01675319904073e-10 8.738353000850861e-10 -2.7768630391207374e-09 ] [ 5.005005259137435e-09 6.657859687759312e-09 -2.2066813846164057e-09 ] [ -1.5417229721086504e-09 1.5807809939881747e-09 -6.396972141629261e-10 ] [ 5.6005836561287164e-09 5.657574039836544e-10 1.833228113462189e-10 ] [ 5.627720362425854e-09 -1.3955588022579974e-09 1.3774884930226427e-09 ] [ 1.6614103722122726e-09 -9.134308522208889e-10 -1.7954407778606209e-10 ] [ -2.1243404011083074e-10 -2.4038205660520935e-09 3.016619798234381e-10 ] [ 3.3772019835054008e-09 -1.7470869272272147e-09 -3.6395306875058616e-09 ] [ -5.5463349170544004e-11 -6.109592925509607e-10 6.394896521817015e-09 ] [ -1.1578183824216309e-09 -1.951052182155821e-10 -1.276736577529607e-09 ] [ -3.513081941844801e-09 -7.016875104512851e-10 -3.910849044307968e-11 ] [ -2.9680786531540033e-10 5.902085418290074e-09 -8.875696387315698e-10 ] [ -6.87798401543232e-11 1.2119392678016064e-10 1.4704086487578835e-09 ] [ -3.461268671451763e-10 1.7501393941251628e-09 -1.1716764091032402e-09 ] [ 2.01229378130928e-10 -3.070068410304269e-10 -8.535339599052673e-10 ] [ -7.736298870374055e-10 1.0121446388346047e-10 1.5416459074131898e-09 ] [ -4.622755397464378e-10 2.8255150548232745e-09 -4.746623901764705e-08 ] [ 1.4846704239479348e-09 -2.0315157350996663e-09 4.841698023748949e-08 ] [ 8.758666998225984e-10 2.12710896230905e-10 -3.877551007597882e-10 ] [ 1.2142811693682298e-09 1.0110340100010663e-09 2.7478883158042177e-10 ] [ -2.2913181270044486e-09 -9.283802816165876e-10 -4.107522633217651e-09 ] [ -9.505409477648447e-10 -7.746480702799239e-10 3.750849118030735e-09 ] [ -1.7359594901604349e-09 -3.678323549154643e-10 4.6285072115330496e-10 ] [ 4.796056433829831e-10 -4.020745543081882e-10 1.614819236297071e-09 ] [ -1.1195242783549037e-09 -1.1873333596946843e-09 -1.1908711258910727e-09 ] [ 1.931579647941942e-09 -2.6866752353946086e-09 -9.894767235682022e-10 ] [ 5.368358569091791e-09 7.440155748138625e-10 2.5572949871704706e-10 ] [ 3.0182796532135296e-10 1.584101985687769e-09 -5.593001996141428e-09 ] [ 8.838530696243003e-10 1.2738308700101242e-09 5.351239632333867e-09 ] [ -1.830701000278201e-09 2.0128915534065007e-09 3.99134239773696e-11 ] [ 7.850082249630029e-10 2.529025542002427e-09 2.4156199559936374e-09 ] [ 6.310948074505267e-10 3.6107309218763333e-10 1.2928953298386853e-09 ] [ -1.3217654310218669e-09 -2.530160523920602e-10 -1.7144219105000065e-09 ] [ -1.3412695281151757e-09 6.26781427552009e-10 -2.1518001062121983e-09 ] [ -5.216260898343667e-10 -2.100793852183058e-09 -3.6127445374533545e-09 ] [ 5.52366411787008e-12 -6.728111607792826e-10 3.333625983772883e-09 ] [ -2.0997694204517183e-10 2.704992440047229e-09 3.71626789806505e-10 ] [ 8.770624042347015e-10 -9.937226518309843e-10 1.9162753364247362e-10 ] [ 9.466901162567522e-10 -6.255544806958004e-10 -2.0279742838970497e-09 ] [ -1.8248748452143238e-09 -3.5242662561816195e-10 -4.6560213906420485e-09 ] [ -6.211222192920192e-10 -1.6616814604965121e-10 3.872512963213776e-09 ] [ 3.7568782688724674e-10 -7.398992626397031e-10 1.6419125236077849e-09 ] [ -4.6057949159742506e-09 -6.4215227746427655e-09 1.1753019745784488e-09 ] [ 2.488867625872723e-10 -7.543593872954093e-10 1.0834626471915993e-09 ] [ -3.644424696211757e-10 -5.402199903893991e-10 -1.1436450473810477e-09 ] [ -4.164136986072578e-09 -4.678527806505074e-09 1.7763920193629433e-09 ] [ -5.106442906224173e-10 1.6412553107579328e-10 -1.6170106934790008e-09 ] [ -8.43563775011691e-10 -1.2263107920901823e-09 -3.0155349644444373e-09 ] [ -3.8521420885686146e-10 -3.753209765063821e-09 3.869854952199869e-09 ] [ -1.2574647960463143e-09 -2.444365568053382e-10 2.2794599371809217e-10 ] ] "source-value" [ [ 0.8807543 -0.1283073 -0.9813596 ] [ -2.8772263 0.2974969 -3.2413202 ] [ -1.2615816 0.9566966 3.3361771 ] [ -0.5921286 0.7115894 0.3385403 ] [ -0.2186283 0.9270263 -0.4615802 ] [ -2.3355557 -1.2037301 0.8048224 ] [ 1.5064613 -0.4251958 0.3175895 ] [ 0.3564883 -0.9736341 -0.8474954 ] [ 0.400738 -0.3410023 1.5707614 ] [ -0.7299535 -0.3604705 -1.5165422 ] [ -0.3390259 0.692728 1.6822353 ] [ 1.2457078 0.7559365 -1.7821372 ] [ 1.5570285 3.8136883 0.6780507 ] [ -0.1875129 -0.6201965 0.511444 ] [ 0.3755362 0.5454051 -1.7331816 ] [ 3.1238786 4.1555092 -1.3773022 ] [ -0.9622678 0.9866459 -0.3992676 ] [ 3.4956094 0.353118 0.1144211 ] [ 3.5125468 -0.8710393 0.8597607 ] [ 1.0369708 -0.5701187 -0.1120626 ] [ -0.1325909 -1.5003468 0.1882826 ] [ 2.1078837 -1.0904459 -2.2716164 ] [ -0.0346175 -0.3813308 3.9913805 ] [ -0.7226534 -0.1217751 -0.7968763 ] [ -2.1926933 -0.4379589 -0.0244096 ] [ -0.1852529 3.683792 -0.5539774 ] [ -0.042929 0.0756433 0.9177569 ] [ -0.2160354 1.0923511 -0.7313029 ] [ 0.1255975 -0.1916186 -0.532734 ] [ -0.4828618 0.0631731 0.9622197 ] [ -0.2885297 1.7635478 -29.6260964 ] [ 0.9266584 -1.2679724 30.2195024 ] [ 0.546673 0.1327637 -0.2420177 ] [ 0.7578947 0.6310378 0.1715097 ] [ -1.4301283 -0.5794494 -2.563714 ] [ -0.593281 -0.4834973 2.3410959 ] [ -1.0835007 -0.2295829 0.2888887 ] [ 0.2993463 -0.2509552 1.0078909 ] [ -0.6987521 -0.7410752 -0.7432833 ] [ 1.2055972 -1.6768908 -0.6175828 ] [ 3.3506659 0.464378 0.1596138 ] [ 0.1883862 0.9887187 -3.4908773 ] [ 0.5516577 0.7950627 3.3399811 ] [ -1.1426337 1.2563481 0.024912 ] [ 0.4899636 1.5784936 1.5077114 ] [ 0.3938984 0.2253641 0.8069618 ] [ -0.8249811 -0.1579202 -1.070058 ] [ -0.8371546 0.3912062 -1.343048 ] [ -0.3255734 -1.3112124 -2.2548978 ] [ 0.0034476 -0.4199357 2.0806857 ] [ -0.1310573 1.6883235 0.2319512 ] [ 0.5474193 -0.6202329 0.1196045 ] [ 0.5908775 -0.3904404 -1.265762 ] [ -1.1389973 -0.2199674 -2.90606 ] [ -0.387674 -0.103714 2.4170325 ] [ 0.2344859 -0.4618088 1.0248012 ] [ -2.8747111 -4.0079993 0.7335658 ] [ 0.1553429 -0.4708341 0.6762442 ] [ -0.2274671 -0.3371788 -0.7138071 ] [ -2.5990499 -2.9201074 1.1087367 ] [ -0.3187191 0.1024391 -1.0092587 ] [ -0.5265111 -0.765403 -1.8821489 ] [ -0.2404318 -2.3425693 2.4153735 ] [ -0.7848478 -0.1525653 0.1422727 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -6.8054199999999995e-12 1.63652e-11 2.55954e-11 ] [ 9.99824e-12 4.76252e-12 2.72693e-10 ] [ -1.18852e-11 1.28026e-11 4.88578e-10 ] [ -1.8182300000000002e-11 2.43541e-11 7.841840000000001e-10 ] [ -1.38184e-10 2.22897e-10 -1.0864600000000001e-11 ] [ -1.3011699999999999e-10 2.3941400000000004e-10 2.2938800000000003e-10 ] [ -1.7062e-10 2.39552e-10 4.81294e-10 ] [ -1.61019e-10 2.58763e-10 7.79003e-10 ] [ -2.70858e-10 4.54239e-10 -1.5184500000000003e-11 ] [ -2.6988400000000004e-10 4.68625e-10 2.76596e-10 ] [ -2.86548e-10 4.77395e-10 4.97841e-10 ] [ -2.99159e-10 4.6637e-10 7.94938e-10 ] [ -4.1901000000000003e-10 6.67321e-10 -3.9925899999999997e-11 ] [ -4.08937e-10 6.83628e-10 2.3230100000000002e-10 ] [ -4.1903e-10 6.93981e-10 5.23022e-10 ] [ -4.25869e-10 7.02167e-10 7.610280000000001e-10 ] [ 2.64946e-10 1.00672e-11 8.99987e-12 ] [ 2.34792e-10 -5.68394e-12 2.50299e-10 ] [ 2.16376e-10 2.5261e-11 4.92835e-10 ] [ 2.29899e-10 1.74675e-11 7.95102e-10 ] [ 1.22435e-10 2.52218e-10 -1.06384e-11 ] [ 9.573e-11 2.48507e-10 2.89269e-10 ] [ 1.19859e-10 2.5471e-10 5.01782e-10 ] [ 1.1026499999999999e-10 2.5116399999999997e-10 7.82102e-10 ] [ 2.6580900000000003e-11 4.85078e-10 8.773760000000001e-13 ] [ -2.0871100000000003e-11 4.43865e-10 2.5349700000000003e-10 ] [ 1.76284e-11 4.84074e-10 4.94991e-10 ] [ -2.5392e-11 4.74744e-10 7.764770000000001e-10 ] [ -1.65563e-10 6.92317e-10 9.57015e-12 ] [ -1.4574700000000001e-10 6.84972e-10 2.45262e-10 ] [ -1.68993e-10 7.06359e-10 5.38303e-10 ] [ -1.59978e-10 7.00696e-10 7.18415e-10 ] [ 5.06785e-10 9.23991e-12 1.78855e-11 ] [ 4.8986e-10 1.1394000000000001e-11 2.76417e-10 ] [ 5.447560000000001e-10 1.54347e-11 5.525159999999999e-10 ] [ 4.812109999999999e-10 3.07407e-11 7.61283e-10 ] [ 4.0923400000000003e-10 2.51394e-10 -2.80987e-12 ] [ 3.66159e-10 2.5099700000000004e-10 2.49044e-10 ] [ 3.7568000000000004e-10 2.35138e-10 5.32247e-10 ] [ 3.52485e-10 2.8470300000000004e-10 7.851600000000001e-10 ] [ 2.41741e-10 4.60396e-10 2.1312100000000002e-11 ] [ 2.23357e-10 4.703509999999999e-10 2.9834200000000004e-10 ] [ 2.68435e-10 4.58157e-10 5.09325e-10 ] [ 2.36938e-10 4.840110000000001e-10 7.83278e-10 ] [ 1.23197e-10 6.85774e-10 -3.54973e-11 ] [ 1.03514e-10 6.993280000000001e-10 2.2988400000000002e-10 ] [ 1.1221000000000002e-10 7.01945e-10 5.15496e-10 ] [ 1.0445700000000001e-10 7.05661e-10 7.65948e-10 ] [ 8.03473e-10 2.4606300000000003e-11 4.2580800000000006e-11 ] [ 7.839730000000001e-10 1.55836e-11 2.6441200000000004e-10 ] [ 7.948240000000001e-10 -2.91046e-12 5.41958e-10 ] [ 7.79487e-10 3.27794e-11 8.006360000000001e-10 ] [ 6.54326e-10 2.36157e-10 4.43569e-11 ] [ 6.58001e-10 2.40647e-10 2.9796700000000003e-10 ] [ 6.74105e-10 2.32551e-10 5.05787e-10 ] [ 6.35624e-10 2.3677899999999997e-10 8.105930000000001e-10 ] [ 5.584469999999999e-10 4.85785e-10 3.31316e-11 ] [ 5.18105e-10 4.71119e-10 2.66831e-10 ] [ 5.113470000000001e-10 4.91069e-10 5.65221e-10 ] [ 5.262590000000001e-10 5.22511e-10 8.025510000000001e-10 ] [ 3.84325e-10 6.898500000000001e-10 2.90269e-11 ] [ 3.8973e-10 7.018220000000001e-10 2.77996e-10 ] [ 3.85324e-10 7.1029e-10 5.03452e-10 ] [ 3.69095e-10 7.15117e-10 7.826260000000001e-10 ] ] "source-value" [ [ -0.0680542 0.163652 0.255954 ] [ 0.0999824 0.0476252 2.72693 ] [ -0.118852 0.128026 4.88578 ] [ -0.181823 0.243541 7.84184 ] [ -1.38184 2.22897 -0.108646 ] [ -1.30117 2.39414 2.29388 ] [ -1.7062 2.39552 4.81294 ] [ -1.61019 2.58763 7.79003 ] [ -2.70858 4.54239 -0.151845 ] [ -2.69884 4.68625 2.76596 ] [ -2.86548 4.77395 4.97841 ] [ -2.99159 4.6637 7.94938 ] [ -4.1901 6.67321 -0.399259 ] [ -4.08937 6.83628 2.32301 ] [ -4.1903 6.93981 5.23022 ] [ -4.25869 7.02167 7.61028 ] [ 2.64946 0.100672 0.0899987 ] [ 2.34792 -0.0568394 2.50299 ] [ 2.16376 0.25261 4.92835 ] [ 2.29899 0.174675 7.95102 ] [ 1.22435 2.52218 -0.106384 ] [ 0.9573 2.48507 2.89269 ] [ 1.19859 2.5471 5.01782 ] [ 1.10265 2.51164 7.82102 ] [ 0.265809 4.85078 0.00877376 ] [ -0.208711 4.43865 2.53497 ] [ 0.176284 4.84074 4.94991 ] [ -0.25392 4.74744 7.76477 ] [ -1.65563 6.92317 0.0957015 ] [ -1.45747 6.84972 2.45262 ] [ -1.68993 7.06359 5.38303 ] [ -1.59978 7.00696 7.18415 ] [ 5.06785 0.0923991 0.178855 ] [ 4.8986 0.11394 2.76417 ] [ 5.44756 0.154347 5.52516 ] [ 4.81211 0.307407 7.61283 ] [ 4.09234 2.51394 -0.0280987 ] [ 3.66159 2.50997 2.49044 ] [ 3.7568 2.35138 5.32247 ] [ 3.52485 2.84703 7.8516 ] [ 2.41741 4.60396 0.213121 ] [ 2.23357 4.70351 2.98342 ] [ 2.68435 4.58157 5.09325 ] [ 2.36938 4.84011 7.83278 ] [ 1.23197 6.85774 -0.354973 ] [ 1.03514 6.99328 2.29884 ] [ 1.1221 7.01945 5.15496 ] [ 1.04457 7.05661 7.65948 ] [ 8.03473 0.246063 0.425808 ] [ 7.83973 0.155836 2.64412 ] [ 7.94824 -0.0291046 5.41958 ] [ 7.79487 0.327794 8.00636 ] [ 6.54326 2.36157 0.443569 ] [ 6.58001 2.40647 2.97967 ] [ 6.74105 2.32551 5.05787 ] [ 6.35624 2.36779 8.10593 ] [ 5.58447 4.85785 0.331316 ] [ 5.18105 4.71119 2.66831 ] [ 5.11347 4.91069 5.65221 ] [ 5.26259 5.22511 8.02551 ] [ 3.84325 6.8985 0.290269 ] [ 3.8973 7.01822 2.77996 ] [ 3.85324 7.1029 5.03452 ] [ 3.69095 7.15117 7.82626 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.831905636541938e-17 "source-value" -239.16874 } }