{ "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" [ 4.3065 4.017949 3.839116 3.709185 3.607074 3.522947 3.451407 3.389173 3.334101 3.28471 3.239938 3.198995 3.161276 3.12631 3.093724 3.063213 3.034529 3.007465 2.981849 2.957533 2.934391 2.912316 2.891213 2.871 2.850566 2.829508 2.807788 2.785363 2.762184 2.7382 2.713353 2.687577 2.660802 2.632946 2.603919 2.573618 2.541925 2.508707 2.473809 2.437053 2.398229 2.357091 2.313345 2.266638 2.21654 2.162521 2.103912 2.039862 1.969256 1.890597 1.801808 1.699891 1.580276 1.4355 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.3065e-10 4.017949e-10 3.839116e-10 3.7091850000000004e-10 3.607074e-10 3.522947e-10 3.4514070000000003e-10 3.389173e-10 3.334101e-10 3.28471e-10 3.239938e-10 3.198995e-10 3.1612760000000003e-10 3.1263100000000004e-10 3.0937240000000003e-10 3.0632130000000003e-10 3.034529e-10 3.007465e-10 2.981849e-10 2.957533e-10 2.9343910000000005e-10 2.9123160000000003e-10 2.8912130000000003e-10 2.871e-10 2.8505660000000005e-10 2.8295080000000004e-10 2.807788e-10 2.785363e-10 2.762184e-10 2.7382e-10 2.713353e-10 2.687577e-10 2.660802e-10 2.632946e-10 2.603919e-10 2.5736180000000003e-10 2.541925e-10 2.508707e-10 2.473809e-10 2.4370530000000003e-10 2.3982290000000005e-10 2.3570910000000003e-10 2.313345e-10 2.266638e-10 2.2165400000000001e-10 2.162521e-10 2.1039119999999998e-10 2.039862e-10 1.969256e-10 1.8905970000000002e-10 1.8018080000000001e-10 1.6998910000000002e-10 1.580276e-10 1.4355e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.955599 1.36135 1.67302 1.92761 2.14211 2.32614 2.48583 2.62542 2.74798 2.85583 2.95077 3.03426 3.10749 3.17142 3.22689 3.27459 3.31514 3.34906 3.3768 3.39878 3.41536 3.42686 3.43357 3.43576 3.43341 3.42585 3.41215 3.39123 3.36182 3.32236 3.27101 3.20555 3.12326 3.02086 2.89429 2.73853 2.54732 2.31281 2.025 1.6711 1.23446 0.693265 0.0179495 -0.83396 -1.92653 -3.36077 -5.30401 -8.04858 -12.1389 -18.6748 -30.0745 -52.1563 -100.384 -219.818 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.531038389273766e-19 2.1811231606959e-19 2.68047355221468e-19 3.08837170146474e-19 3.43203858945774e-19 3.72688715541276e-19 3.9827387420962197e-19 4.2063865784362797e-19 4.40274934669932e-19 4.575544096676219e-19 4.72765474630818e-19 4.86142047348084e-19 4.978747868388659e-19 5.08117502060028e-19 5.17004775848826e-19 5.24647158393006e-19 5.31143984643876e-19 5.36578567786404e-19 5.4102300576912e-19 5.44544590010652e-19 5.47200998869824e-19 5.49043501998924e-19 5.50118562520338e-19 5.50469439203184e-19 5.50092927694194e-19 5.488816821588899e-19 5.466867001703099e-19 5.43334946651982e-19 5.38622945171388e-19 5.32300756173624e-19 5.2407357915803395e-19 5.1358573091187e-19 5.00401419390684e-19 4.83995130658524e-19 4.63716381001986e-19 4.387608777508019e-19 4.0812565833208797e-19 3.7055301408815395e-19 3.24440768385e-19 2.6773973730773997e-19 1.9778229676076397e-19 1.11073298417001e-19 2.8758269491982997e-21 -1.3361512256906398e-19 -3.08664135070002e-19 -5.384547166248179e-19 -8.4979608885023395e-19 -1.2895246812879718e-18 -1.9448661942462597e-18 -2.99203282046232e-18 -4.8184661179233e-18 -8.35636051758942e-18 -1.60832899227456e-17 -3.5218726333261197e-17 ] } }