{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.845445 0.9973996 1.833851 ] [ 2.258239 2.496991 3.58031 ] [ 1.78294 4.270758 1.69672 ] [ 2.678494 4.477221 3.72616 ] [ 4.64173 2.41566 3.489752 ] [ 3.528967 5.47506 1.628646 ] [ 3.443776 3.131475 0.8054665 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.845445e-10 9.973996000000001e-11 1.833851e-10 ] [ 2.258239e-10 2.496991e-10 3.58031e-10 ] [ 1.78294e-10 4.270758e-10 1.69672e-10 ] [ 2.678494e-10 4.477221e-10 3.72616e-10 ] [ 4.64173e-10 2.41566e-10 3.489752e-10 ] [ 3.528967e-10 5.475060000000001e-10 1.628646e-10 ] [ 3.443776e-10 3.131475e-10 8.054665e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.2066071 0.2265809 -0.7834854 ] [ -1.8841419 -5.949003 3.3172657 ] [ -7.1392602 0.3253073 -3.6862757 ] [ 0.7714118 4.4926678 5.5512971 ] [ 1.3705447 -0.4654706 -0.159959 ] [ 4.3393933 5.4767445 -1.0909379 ] [ 2.3354452 -4.1068269 -3.1479048 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.310210653112877e-10 3.630226206998228e-10 -1.255281990618136e-09 ] [ -3.018728102449691e-09 -9.531353523669063e-09 5.314845549521747e-09 ] [ -1.143835578224793e-08 5.211997506355719e-10 -5.906064744363155e-09 ] [ 1.235937950969246e-09 7.198047314180971e-09 8.89415842873484e-09 ] [ 2.19585467610135e-09 -7.457661129897485e-10 -2.562825700865472e-10 ] [ 6.952474493716161e-09 8.774711995994985e-09 -1.747875198124648e-09 ] [ 3.741795698599581e-09 -6.579862044852539e-09 -5.0434994750641e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.9305856 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.270619883757314e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6854619 1.4317639 1.8038747 ] [ 1.5714106 2.711077 3.3175281 ] [ 0.9662084 4.2181777 1.6875262 ] [ 3.317516 4.1437817 3.9257473 ] [ 5.1817571 2.9663234 3.2690908 ] [ 3.1638293 4.8944778 1.6095628 ] [ 4.2934078 2.898963 1.1475755 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6854619e-10 1.4317639e-10 1.8038747e-10 ] [ 1.5714106e-10 2.711077e-10 3.3175281e-10 ] [ 9.662084e-11 4.2181777e-10 1.6875262e-10 ] [ 3.317516e-10 4.1437817e-10 3.9257473e-10 ] [ 5.1817571e-10 2.9663234e-10 3.2690908e-10 ] [ 3.1638293e-10 4.8944778e-10 1.6095628e-10 ] [ 4.2934078e-10 2.898963e-10 1.1475755e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.85e-05 -3.9e-06 3.3e-06 ] [ 3.36e-05 1.4e-06 -2.74e-05 ] [ 3.59e-05 -4e-06 1.99e-05 ] [ -4.8e-06 6.8e-06 -3.83e-05 ] [ -4.6e-05 3.22e-05 -1.7e-05 ] [ 1.08e-05 -3.81e-05 4.53e-05 ] [ -1.1e-05 5.5e-06 1.43e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.96402674848e-14 -6.24848882112e-15 5.28718284864e-15 ] [ 5.383313445888e-14 2.24304726912e-15 -4.389963940992e-14 ] [ 5.751814068672e-14 -6.4087064832e-15 3.188331475392e-14 ] [ -7.69044777984e-15 1.089480102144e-14 -6.136336457664001e-14 ] [ -7.37001245568e-14 5.159008718975999e-14 -2.72370025536e-14 ] [ 1.730350750464e-14 -6.104292925248e-14 7.257860092224001e-14 ] [ -1.76239428288e-14 8.8119714144e-15 2.291112567744e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.23956 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.281429012247885e-18 } }