{ "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" [ [ 2.625679 2.727046 1.588106 ] [ 1.116882 2.069952 3.236218 ] [ 3.070568 3.395161 4.858531 ] [ 1.593326 4.342716 3.66284 ] [ 4.916804 2.207526 1.823276 ] [ 3.525085 1.533636 3.413768 ] [ 3.625469 4.392152 2.422621 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.625679e-10 2.727046e-10 1.588106e-10 ] [ 1.116882e-10 2.069952e-10 3.236218e-10 ] [ 3.070568e-10 3.395161e-10 4.858531e-10 ] [ 1.593326e-10 4.342716e-10 3.66284e-10 ] [ 4.916804e-10 2.207526e-10 1.823276e-10 ] [ 3.525085e-10 1.533636e-10 3.413768e-10 ] [ 3.625469e-10 4.392152e-10 2.422621e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.5413398 -2.1369132 -13.5531556 ] [ -8.1656912 -4.2250923 -0.7677185 ] [ 4.8571913 0.6226612 9.5633394 ] [ -6.6578374 6.8862519 3.2049191 ] [ 7.3401497 -2.2739357 -2.5710223 ] [ 3.2840563 -11.2371735 7.5723925 ] [ 3.883471 12.3642014 -3.4487546 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.276028454668548e-09 -3.423712369718914e-09 -2.17145490403846e-08 ] [ -1.30828795333123e-08 -6.769344103782099e-09 -1.230020632055645e-09 ] [ 7.782078343613159e-09 9.97613217319273e-10 1.53221588034555e-08 ] [ -1.066703142736786e-08 1.103299179911958e-08 5.134846453575377e-09 ] [ 1.176021624251213e-08 -3.643246615742482e-09 -4.119231820615444e-09 ] [ 5.261638225250951e-09 -1.800393666557331e-08 1.213231022702127e-08 ] [ 6.222006443754797e-09 1.980963441794263e-08 -5.525513990996456e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 0.16631019 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.66458298218806e-20 } "relaxed-configuration-positions" { "source-value" [ [ 1.9490337 2.852528 0.6986739 ] [ 1.3237195 2.0017322 2.8874385 ] [ 3.2672767 3.1661173 5.4703862 ] [ 1.9837118 4.3588313 3.7864995 ] [ 4.9681066 2.5865939 2.4603067 ] [ 3.4928832 1.338015 3.8829631 ] [ 3.4890816 4.3643713 1.8190922 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9490337e-10 2.852528e-10 6.986738999999999e-11 ] [ 1.3237195e-10 2.0017322e-10 2.8874385e-10 ] [ 3.2672767e-10 3.1661173e-10 5.470386200000001e-10 ] [ 1.9837118e-10 4.3588313e-10 3.7864995e-10 ] [ 4.9681066e-10 2.5865939e-10 2.4603067e-10 ] [ 3.4928832e-10 1.338015e-10 3.8829631e-10 ] [ 3.4890816e-10 4.3643713e-10 1.8190922e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.9e-06 -1.68e-05 -3.7e-06 ] [ -1.37e-05 5.9e-06 3.32e-05 ] [ 3.8e-06 1.18e-05 -2.28e-05 ] [ -1.4e-06 -2.57e-05 -3.6e-06 ] [ -1.62e-05 -7.7e-06 2.71e-05 ] [ 2.8e-06 -1.25e-05 -2.68e-05 ] [ 1.78e-05 4.49e-05 -3.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.105501868352e-14 -2.691656722944e-14 -5.928053496960001e-15 ] [ -2.194981970496e-14 9.45284206272e-15 5.319226381056e-14 ] [ 6.08827115904e-15 1.890568412544e-14 -3.652962695424e-14 ] [ -2.24304726912e-15 -4.117593915456e-14 -5.76783583488e-15 ] [ -2.595526125696e-14 -1.233675998016e-14 4.341898642368e-14 ] [ 4.48609453824e-15 -2.002720776e-14 -4.293833343744e-14 ] [ 2.851874385024e-14 7.193773027392e-14 -5.76783583488e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.129296 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.783109785716296e-18 } }