{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Pt" "Pt" "Pt" "Pt" ] } "a" { "source-value" [ 5.88 5.486018 5.241844 5.064439 4.925019 4.810154 4.712474 4.627502 4.552307 4.484871 4.42374 4.367837 4.316336 4.268595 4.224102 4.182443 4.143278 4.106326 4.07135 4.03815 4.006553 3.976411 3.947598 3.92 3.901212 3.881438 3.86057 3.838479 3.815012 3.789987 3.763182 3.734324 3.703074 3.668997 3.631531 3.589927 3.543156 3.48975 3.427511 3.352926 3.259854 3.136 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.88e-10 5.486018e-10 5.241844000000001e-10 5.064439000000001e-10 4.925019e-10 4.810154e-10 4.712474e-10 4.627502e-10 4.552307e-10 4.4848710000000003e-10 4.42374e-10 4.367837e-10 4.316336e-10 4.2685950000000006e-10 4.2241020000000006e-10 4.182443e-10 4.143278e-10 4.106326e-10 4.07135e-10 4.03815e-10 4.0065530000000004e-10 3.976411e-10 3.9475980000000003e-10 3.92e-10 3.901212e-10 3.8814380000000004e-10 3.8605700000000003e-10 3.8384790000000003e-10 3.815012e-10 3.7899870000000003e-10 3.763182e-10 3.734324e-10 3.7030740000000004e-10 3.668997e-10 3.631531e-10 3.589927e-10 3.543156e-10 3.4897500000000003e-10 3.427511e-10 3.3529260000000004e-10 3.259854e-10 3.1360000000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.900906 1.51886 2.04339 2.50159 2.9076 3.27029 3.59581 3.88868 4.15241 4.38975 4.60298 4.79396 4.9643 5.11536 5.24832 5.36422 5.46398 5.54843 5.61828 5.67422 5.71683 5.74667 5.76424 5.77 5.76719 5.75792 5.74064 5.7134 5.67367 5.61815 5.54243 5.44059 5.30445 5.12248 4.87798 4.54597 4.08752 3.43898 2.48932 1.02795 -1.39496 -5.92933 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.4434105307384448e-19 2.433481982268288e-19 3.2738716851765124e-19 4.007989012827073e-19 4.658488742638081e-19 5.239582181236032e-19 5.761122714838848e-19 6.230352181772544e-19 6.652894221976128e-19 7.033154821156801e-19 7.374786942009983e-19 7.680770633050369e-19 7.95368539863744e-19 8.195710198975488e-19 8.408735602477056e-19 8.594427872827777e-19 8.754261012518786e-19 8.889564828145345e-19 9.001476865108226e-19 9.091102625275777e-19 9.159371371088064e-19 9.207180321452737e-19 9.235330564680193e-19 9.244559102016e-19 9.240056985711554e-19 9.225204808436738e-19 9.197519196429312e-19 9.15387590527872e-19 9.090221428134337e-19 9.00126858214752e-19 8.879951768420544e-19 8.716786101358273e-19 8.498665776202561e-19 8.207117696515585e-19 7.815385512729984e-19 7.283446852858176e-19 6.548928981052416e-19 5.509853355398784e-19 3.9883303056898564e-19 1.64695745735136e-19 -2.2349722989511682e-19 -9.499833903008066e-19 ] } }