{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 8.1465 7.600654 7.262361 7.016573 6.823413 6.664272 6.528941 6.411215 6.307036 6.213606 6.128912 6.051459 5.980107 5.913964 5.852321 5.794604 5.740343 5.689148 5.64069 5.594691 5.550915 5.509156 5.469236 5.431 5.392345 5.352512 5.311424 5.269002 5.225156 5.179785 5.132782 5.084024 5.033374 4.98068 4.92577 4.868449 4.808497 4.745659 4.679644 4.610113 4.536671 4.45885 4.376097 4.287743 4.192975 4.090787 3.979918 3.858757 3.725193 3.576395 3.408437 3.215642 2.98937 2.7155 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.1465e-10 7.600654e-10 7.262361000000001e-10 7.016573e-10 6.823413e-10 6.664272000000001e-10 6.528941e-10 6.411215e-10 6.307036e-10 6.213606000000001e-10 6.128912e-10 6.051459000000001e-10 5.980107e-10 5.913964e-10 5.852321e-10 5.794604e-10 5.740343000000001e-10 5.689148e-10 5.640690000000001e-10 5.594691000000001e-10 5.550915e-10 5.509156e-10 5.469236e-10 5.431e-10 5.392345e-10 5.352512000000001e-10 5.311424e-10 5.269002000000001e-10 5.225156e-10 5.179785e-10 5.132782e-10 5.084024000000001e-10 5.033374e-10 4.980680000000001e-10 4.92577e-10 4.868449000000001e-10 4.808497000000001e-10 4.745659e-10 4.679644e-10 4.6101130000000005e-10 4.5366710000000005e-10 4.45885e-10 4.376097e-10 4.287743e-10 4.1929749999999997e-10 4.090787e-10 3.9799180000000004e-10 3.8587570000000004e-10 3.725193e-10 3.576395e-10 3.408437e-10 3.215642e-10 2.9893700000000003e-10 2.7155e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 1.39316 1.94899 2.36783 2.70547 2.98701 3.22654 3.43292 3.61219 3.76872 3.90578 4.0259 4.1311 4.223 4.30296 4.37211 4.43139 4.48163 4.52353 4.55772 4.58475 4.60508 4.61915 4.62734 4.63 4.62715 4.61798 4.6014 4.57615 4.54072 4.4933 4.43176 4.35351 4.25542 4.13371 3.98372 3.79972 3.57462 3.29948 2.96308 2.55102 2.04475 1.42001 0.644622 -0.324767 -1.54801 -3.11211 -5.15009 -7.87567 -11.6528 -17.1431 -25.6439 -39.9266 -66.5091 -122.322 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.2320883994234397e-19 3.1226262378996596e-19 3.7936818992842197e-19 4.3346408179879797e-19 4.78571762752434e-19 5.16948699666636e-19 5.50014421039128e-19 5.78736641556846e-19 6.03815512408848e-19 6.25774945354452e-19 6.4502029108206e-19 6.6187518927174e-19 6.765991925381999e-19 6.894101969036639e-19 7.00489248327774e-19 7.099869514141261e-19 7.18036286823342e-19 7.247494069198019e-19 7.302272488314479e-19 7.345579322731499e-19 7.378151573700719e-19 7.4006941989411e-19 7.41381602557356e-19 7.418077815419999e-19 7.4135116120131e-19 7.39881965227932e-19 7.372255563687599e-19 7.3318006036791e-19 7.27503548553648e-19 7.199060269552199e-19 7.100462319495839e-19 6.97509199788534e-19 6.817934491856279e-19 6.622933573732139e-19 6.382623100398479e-19 6.08782259974248e-19 5.727172639429079e-19 5.28634976035032e-19 4.74737754067272e-19 4.0871846368666795e-19 3.2760506723714997e-19 2.27510684204634e-19 1.032798306162348e-19 -5.2033409889427794e-20 -2.48018545119834e-19 -4.98614992443774e-19 -8.251353860997059e-19 -1.261821445109478e-18 -1.8669843880675197e-18 -2.74662742543254e-18 -4.1086057384632595e-18 -6.3969465595064396e-18 -1.065593259683694e-17 -1.95981450224148e-17 ] } }