{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Cu" "Cu" ] } "a" { "source-value" [ 4.59122 4.283591 4.092934 3.954412 3.845551 3.755861 3.679591 3.613243 3.554529 3.501873 3.454141 3.41049 3.370278 3.333 3.298259 3.265731 3.23515 3.206298 3.178988 3.153064 3.128392 3.104857 3.082359 3.06081 3.039025 3.016576 2.99342 2.969511 2.9448 2.919231 2.892741 2.865261 2.836716 2.807019 2.776073 2.743768 2.70998 2.674566 2.637361 2.598175 2.556784 2.512927 2.466289 2.416494 2.363084 2.305493 2.24301 2.174726 2.099452 2.015593 1.920935 1.81228 1.684757 1.53041 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.59122e-10 4.2835910000000003e-10 4.092934e-10 3.954412e-10 3.845551e-10 3.755861e-10 3.679591e-10 3.613243e-10 3.5545290000000004e-10 3.501873e-10 3.454141e-10 3.4104899999999997e-10 3.370278e-10 3.3330000000000003e-10 3.2982589999999997e-10 3.2657310000000005e-10 3.23515e-10 3.206298e-10 3.178988e-10 3.153064e-10 3.128392e-10 3.104857e-10 3.082359e-10 3.06081e-10 3.0390250000000003e-10 3.0165760000000003e-10 2.99342e-10 2.969511e-10 2.9448e-10 2.919231e-10 2.892741e-10 2.865261e-10 2.836716e-10 2.807019e-10 2.776073e-10 2.7437680000000005e-10 2.70998e-10 2.6745660000000003e-10 2.637361e-10 2.598175e-10 2.556784e-10 2.512927e-10 2.466289e-10 2.416494e-10 2.3630840000000004e-10 2.3054929999999998e-10 2.24301e-10 2.1747260000000003e-10 2.099452e-10 2.015593e-10 1.920935e-10 1.8122799999999999e-10 1.6847570000000002e-10 1.53041e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.8298 2.51325 2.96906 3.33816 3.64854 3.91519 4.14731 4.35102 4.5307 4.68958 4.83017 4.95442 5.06395 5.16006 5.24386 5.31628 5.37814 5.43012 5.47284 5.50684 5.5326 5.55054 5.56105 5.56448 5.56077 5.54877 5.52693 5.49343 5.44607 5.38221 5.29865 5.19148 5.05595 4.88615 4.67479 4.41275 4.08853 3.6875 3.19087 2.57425 1.80557 0.842154 -0.37382 -1.92183 -3.91338 -6.50837 -9.94215 -14.5716 -20.9573 -30.0186 -43.3438 -63.8634 -97.4663 -157.429 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.9316628048932e-19 4.0266704254005e-19 4.75695855694404e-19 5.34832195255344e-19 5.845605536214359e-19 6.27282593567046e-19 6.64472317595454e-19 6.97110257806668e-19 7.2589816756638e-19 7.51353549927372e-19 7.738785512247779e-19 7.937855959022279e-19 8.1133423657443e-19 8.267327562038039e-19 8.401589963967239e-19 8.517619595801519e-19 8.616730242380759e-19 8.700011383816078e-19 8.76845636962056e-19 8.82293037517656e-19 8.8642024452684e-19 8.892945494082358e-19 8.9097843705057e-19 8.91527983636032e-19 8.90933576104818e-19 8.89010964144018e-19 8.85511810375362e-19 8.80144518651462e-19 8.72556610112838e-19 8.623251101281139e-19 8.4893732217441e-19 8.31766795187832e-19 8.1005249526723e-19 7.828475360219099e-19 7.489839306856859e-19 7.070004941683499e-19 6.55054723340802e-19 5.908026337875e-19 5.112337356131579e-19 4.1244032000745e-19 2.8928420650513797e-19 1.3492794610296359e-19 -5.9892566932188e-20 -3.0791111205202197e-19 -6.26992599596292e-19 -1.0427558339426579e-18 -1.5929080421723098e-18 -2.33462770399944e-18 -3.3577296371728196e-18 -4.8095099505392396e-18 -6.94444235887692e-18 -1.0232044724779559e-17 -1.561582284624342e-17 -2.5222906531398598e-17 ] } }