{ "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" [ "Ti" "Ti" "Ti" "Ti" ] } "a" { "source-value" [ 6.19426 5.779222 5.521999 5.335112 5.188242 5.067237 4.964337 4.874823 4.79561 4.72457 4.660172 4.601281 4.547028 4.496735 4.449864 4.405979 4.364721 4.325794 4.288949 4.253974 4.220688 4.188936 4.158583 4.12951 4.109718 4.088888 4.066904 4.043632 4.018911 3.992548 3.964311 3.933911 3.90099 3.865092 3.825624 3.781797 3.732526 3.676266 3.610701 3.53213 3.434083 3.30361 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.19426e-10 5.779222e-10 5.521999e-10 5.335112e-10 5.188242e-10 5.067237e-10 4.964337000000001e-10 4.874823000000001e-10 4.795610000000001e-10 4.72457e-10 4.660172e-10 4.6012810000000006e-10 4.547028e-10 4.4967350000000004e-10 4.449864e-10 4.4059790000000006e-10 4.3647210000000004e-10 4.3257940000000004e-10 4.2889489999999996e-10 4.2539740000000005e-10 4.220688e-10 4.188936e-10 4.1585830000000003e-10 4.12951e-10 4.1097180000000003e-10 4.088888e-10 4.0669040000000004e-10 4.0436319999999997e-10 4.0189110000000004e-10 3.992548e-10 3.964311e-10 3.933911e-10 3.90099e-10 3.8650920000000005e-10 3.825624e-10 3.7817970000000004e-10 3.7325260000000003e-10 3.676266e-10 3.610701e-10 3.53213e-10 3.4340830000000003e-10 3.30361e-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" [ 1.71476 2.30059 2.72698 3.06267 3.33759 3.56811 3.7643 3.93294 4.07884 4.20553 4.31574 4.4116 4.49483 4.56683 4.62875 4.68158 4.72614 4.76314 4.7932 4.81687 4.83461 4.84684 4.85394 4.85624 4.85514 4.85153 4.84486 4.83448 4.81949 4.79881 4.77096 4.73403 4.6854 4.62146 4.53707 4.42474 4.27305 4.0638 3.7662 3.32379 2.62077 1.37571 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.7473483822830084e-19 3.6859515120462723e-19 4.369103601389185e-19 4.906938271225536e-19 5.347408667815872e-19 5.716742422442688e-19 6.03107345367744e-19 6.301264519009152e-19 6.535022087983871e-19 6.738001844073025e-19 6.914577729451392e-19 7.068162380321281e-19 7.2015115404704645e-19 7.316868257168065e-19 7.416075033528001e-19 7.500718024404865e-19 7.572111014627713e-19 7.631391549597312e-19 7.67955297881856e-19 7.717476499432896e-19 7.745899112685888e-19 7.765493732758272e-19 7.776869186765952e-19 7.780554192993792e-19 7.778791798710912e-19 7.773007941109825e-19 7.762321423049088e-19 7.745690829725185e-19 7.721674202179392e-19 7.688541189661248e-19 7.643920570771968e-19 7.584752188165824e-19 7.50683833909632e-19 7.404395165962369e-19 7.269187480933056e-19 7.089214981118592e-19 6.846180809509439e-19 6.51092535160704e-19 6.034117589256961e-19 5.325298630448832e-19 4.198936422494016e-19 2.204130399000768e-19 ] } }