{ "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" [ "Sr" "Sr" "Sr" "Sr" ] } "a" { "source-value" [ 9.10523 8.495145 8.117039 7.842325 7.626433 7.448562 7.297305 7.165724 7.049284 6.944858 6.850197 6.76363 6.68388 6.609953 6.541055 6.476545 6.415899 6.358678 6.304518 6.253106 6.204178 6.157504 6.112886 6.07015 6.026946 5.982424 5.936502 5.889087 5.84008 5.789371 5.736836 5.682339 5.625728 5.566833 5.505461 5.441394 5.374386 5.304153 5.230369 5.152655 5.070569 4.983591 4.891099 4.792347 4.686425 4.572211 4.448294 4.312873 4.163591 3.997282 3.809556 3.594072 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.105230000000001e-10 8.495145000000001e-10 8.117039e-10 7.842325e-10 7.626433e-10 7.448562e-10 7.297305e-10 7.165724e-10 7.049284000000001e-10 6.944858000000001e-10 6.850197e-10 6.763630000000001e-10 6.683880000000001e-10 6.609953e-10 6.541055e-10 6.476545e-10 6.415899e-10 6.358678e-10 6.304518e-10 6.253106e-10 6.204178e-10 6.157504000000001e-10 6.112885999999999e-10 6.07015e-10 6.026946e-10 5.982424e-10 5.936502e-10 5.889087e-10 5.84008e-10 5.789371000000001e-10 5.736836e-10 5.682339e-10 5.625728e-10 5.566833e-10 5.505461e-10 5.441394e-10 5.374386e-10 5.304153000000001e-10 5.230369e-10 5.152655e-10 5.070569e-10 4.983590999999999e-10 4.891098999999999e-10 4.792347000000001e-10 4.686425e-10 4.5722110000000004e-10 4.4482939999999997e-10 4.312873e-10 4.163591e-10 3.9972819999999997e-10 3.8095560000000004e-10 3.5940720000000004e-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" [ 0.606157 0.806033 0.953197 1.07042 1.16748 1.24971 1.32035 1.38171 1.43524 1.48209 1.52315 1.55912 1.5906 1.618 1.64172 1.66208 1.67934 1.69377 1.70557 1.71491 1.72194 1.72683 1.72968 1.7306 1.72962 1.72646 1.7207 1.71189 1.6995 1.68285 1.66117 1.63354 1.59877 1.55545 1.50183 1.43577 1.35454 1.25467 1.13182 0.98033 0.792745 0.559319 0.266746 -0.103218 -0.57609 -1.18837 -1.99388 -3.07473 -4.56077 -6.66815 -9.77725 -14.613 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.711705819355379e-20 1.291407238832922e-19 1.527189960998898e-19 1.7150019125662797e-19 1.87050917666232e-19 2.00225616127614e-19 2.1154339187018997e-19 2.21374347696414e-19 2.29950799218216e-19 2.3745699674850596e-19 2.4403553400771e-19 2.49798563360208e-19 2.5484221540404e-19 2.592321793812e-19 2.63032542357048e-19 2.66294573983872e-19 2.6905993085415597e-19 2.71371871737018e-19 2.73262440165138e-19 2.74758873141294e-19 2.7588520331499596e-19 2.76668667689022e-19 2.77125288029712e-19 2.7727268828003996e-19 2.7711567496990797e-19 2.76609387153564e-19 2.7568653341237996e-19 2.7427501579782597e-19 2.7228991894829997e-19 2.6962229485269e-19 2.66148775910178e-19 2.61721961870436e-19 2.56151193714018e-19 2.4921056453553e-19 2.40619693424022e-19 2.30035714579818e-19 2.17021233781836e-19 2.0102029573807797e-19 1.81337555789388e-19 1.57066181960922e-19 1.27011751572033e-19 8.961278327522459e-20 4.273742084129639e-20 -1.6537346780821198e-20 -9.229979370810599e-20 -1.9039786465465797e-19 -3.19454794699992e-19 -4.92626056185882e-19 -7.307159127048179e-19 -1.06835541220071e-18 -1.5664881494776499e-18 -2.3412607152641998e-18 ] } }