{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "sc" ] } "species" { "source-value" [ "Mo" ] } "a" { "source-value" [ 3.70167 3.453644 3.299928 3.188245 3.100476 3.028164 2.966671 2.913178 2.86584 2.823386 2.784903 2.749709 2.717288 2.687233 2.659223 2.632997 2.608342 2.585079 2.56306 2.542159 2.522268 2.503293 2.485154 2.46778 2.450216 2.432116 2.413446 2.39417 2.374247 2.353631 2.332273 2.310118 2.287104 2.26316 2.23821 2.212164 2.184922 2.156369 2.126373 2.094779 2.061408 2.026047 1.988445 1.948298 1.905236 1.858804 1.808426 1.753372 1.692682 1.62507 1.548752 1.461148 1.358333 1.23389 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.70167e-10 3.4536440000000004e-10 3.2999280000000003e-10 3.1882450000000003e-10 3.100476e-10 3.028164e-10 2.966671e-10 2.913178e-10 2.86584e-10 2.8233860000000005e-10 2.784903e-10 2.749709e-10 2.717288e-10 2.687233e-10 2.659223e-10 2.632997e-10 2.608342e-10 2.585079e-10 2.5630600000000003e-10 2.542159e-10 2.522268e-10 2.5032930000000004e-10 2.485154e-10 2.46778e-10 2.4502160000000004e-10 2.432116e-10 2.413446e-10 2.39417e-10 2.374247e-10 2.353631e-10 2.332273e-10 2.3101180000000002e-10 2.2871039999999998e-10 2.2631600000000002e-10 2.2382100000000002e-10 2.212164e-10 2.184922e-10 2.1563690000000004e-10 2.1263730000000002e-10 2.094779e-10 2.0614080000000002e-10 2.0260470000000003e-10 1.9884450000000002e-10 1.9482980000000003e-10 1.905236e-10 1.858804e-10 1.8084260000000002e-10 1.753372e-10 1.692682e-10 1.6250700000000002e-10 1.548752e-10 1.461148e-10 1.358333e-10 1.23389e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] ] } "cohesive-potential-energy" { "source-value" [ -0.473667 -0.0444633 0.287067 0.502726 0.554759 0.537888 0.518014 0.532744 0.596463 0.708062 0.85838 1.03544 1.22735 1.4238 1.61641 1.79233 1.9404 2.06288 2.16202 2.23984 2.29807 2.33819 2.36147 2.36901 2.36097 2.33513 2.28857 2.21789 2.11918 1.98794 1.81904 1.60666 1.3437 1.02062 0.630474 0.165642 -0.382733 -1.02509 -1.77373 -2.64307 -3.64961 -4.82474 -6.23627 -7.98089 -10.1738 -12.9187 -16.5748 -21.4199 -27.3361 -33.6629 -41.6245 -55.4281 -81.6 -168.952 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -7.58898199696878e-20 -7.123806033053219e-21 4.59932039792478e-20 8.054558505042839e-20 8.88821907301206e-20 8.61791585308992e-20 8.29949926884876e-20 8.53549988703696e-20 9.556390816455419e-20 1.1344403918233078e-19 1.37527637909292e-19 1.6589577739089597e-19 1.9664314917398997e-19 2.2811790914892e-19 2.5897743329639396e-19 2.87162924641722e-19 3.1088635406135997e-19 3.3050981347459193e-19 3.46393792624068e-19 3.58861931189856e-19 3.68191405729638e-19 3.74619338385246e-19 3.78349205589198e-19 3.7955724677123397e-19 3.78269096757498e-19 3.74129072335242e-19 3.6666933792733796e-19 3.55345153478226e-19 3.3953006792401197e-19 3.18503101779396e-19 2.91442338431136e-19 2.57415311078244e-19 2.1528447431057996e-19 1.63521351619308e-19 1.0101307111445159e-19 2.65387742009028e-20 -6.13205869660722e-20 -1.64237524574706e-19 -2.8418287610248197e-19 -4.2346649960263793e-19 -5.84731986521274e-19 -7.73008569312516e-19 -9.99160607731518e-19 -1.2786795476524258e-18 -1.6300224638989198e-18 -2.0698039281655798e-18 -2.65557572732232e-18 -3.4318463282616596e-18 -4.3797260684687396e-18 -5.39339118126786e-18 -6.668980130193299e-18 -8.88056066870154e-18 -1.3073761333439998e-17 -2.70690946667568e-17 ] } }