{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.43906 1.00085 1.609326 ] [ 1.205531 2.018769 3.811036 ] [ 1.566383 3.683465 1.956037 ] [ 3.913976 1.646449 1.998722 ] [ 3.334697 0.9502568 4.182978 ] [ 3.589337 3.768444 1.401362 ] [ 3.236168 3.404887 3.941176 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.43906e-10 1.00085e-10 1.609326e-10 ] [ 1.205531e-10 2.018769e-10 3.811036e-10 ] [ 1.566383e-10 3.683465e-10 1.956037e-10 ] [ 3.913976e-10 1.646449e-10 1.998722e-10 ] [ 3.334697e-10 9.502568000000001e-11 4.182978000000001e-10 ] [ 3.589337e-10 3.768444e-10 1.401362e-10 ] [ 3.236168e-10 3.404887e-10 3.941176e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4701259 0.5094836 -0.0336623 ] [ -0.8681228 -0.2063108 0.3254998 ] [ -3.0387942 -0.103038 0.2742092 ] [ 0.4635868 -1.8358428 -0.9269056 ] [ 0.2163629 -0.0480219 0.3412803 ] [ 2.3648747 0.8883862 -0.4314988 ] [ 0.3919666 0.7953437 0.4510773 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.532247258125587e-10 8.162827126010188e-10 -5.393295006235584e-11 ] [ -1.390886054143434e-09 -3.305463403785446e-10 5.215081696350758e-10 ] [ -4.86868502266264e-09 -1.650850746539904e-10 4.393315694482714e-10 ] [ 7.427479326714855e-10 -2.941344413624011e-09 -1.485066482008597e-09 ] [ 3.466515799884883e-10 -7.693956546639551e-11 5.467913177996103e-10 ] [ 3.788946955461414e-09 1.423351599881353e-09 -6.913372892632551e-10 ] [ 6.279997226544653e-10 1.274281081640569e-09 7.227055042335878e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -17.022349 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.727280959889826e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.3279207 1.3810652 1.6406921 ] [ 1.1236046 1.201041 3.93484 ] [ 1.4302639 3.6641578 1.3026447 ] [ 3.5961626 1.3960048 1.918913 ] [ 3.4072701 1.4331584 4.196069 ] [ 3.6865417 3.6763369 1.7989139 ] [ 3.7133884 3.7213566 4.1085643 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3279207e-10 1.3810652e-10 1.6406921e-10 ] [ 1.1236046e-10 1.201041e-10 3.93484e-10 ] [ 1.4302639e-10 3.6641578e-10 1.3026447e-10 ] [ 3.5961626e-10 1.3960048e-10 1.918913e-10 ] [ 3.4072701e-10 1.4331584e-10 4.196069e-10 ] [ 3.6865417e-10 3.6763369e-10 1.7989139e-10 ] [ 3.7133884e-10 3.7213566e-10 4.1085643e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.27e-05 -1.39e-05 2.3e-06 ] [ 2.9e-05 2.67e-05 -2.3e-05 ] [ -3.26e-05 5.5e-06 1.17e-05 ] [ -6.11e-05 -1.32e-05 3.07e-05 ] [ -3.96e-05 -5.12e-05 -2.1e-06 ] [ -5.3e-06 2.28e-05 -1.28e-05 ] [ 2.69e-05 2.33e-05 -6.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.3250000654016e-13 -2.227025502912e-14 3.68500622784e-15 ] [ 4.64631220032e-14 4.277811577536e-14 -3.68500622784e-14 ] [ -5.223095783807999e-14 8.8119714144e-15 1.874546646336e-14 ] [ -9.789299153088e-14 -2.114873139456e-14 4.918682225856e-14 ] [ -6.344619418368e-14 -8.203144298496001e-14 -3.36457090368e-15 ] [ -8.491536090240001e-15 3.652962695424e-14 -2.050786074624e-14 ] [ 4.309855109952001e-14 3.733071526464e-14 -1.073458335936e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.636824 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.985948369876434e-18 } }