{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.46402 0 0 ] "si-unit" "m" "si-value" [ 5.46402e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0122514 5.46447 0 ] "si-unit" "m" "si-value" [ 1.22514e-12 5.464470000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0384841 0.0769758 5.42124 ] "si-unit" "m" "si-value" [ -3.848410000000001e-12 7.69758e-12 5.42124e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.184284 -0.0140014 0.000758292 ] [ 1.32272 1.33713 1.35336 ] [ -0.167119 2.81332 2.70768 ] [ 1.35941 4.15239 4.11153 ] [ 2.7301 0.0328947 2.73301 ] [ 3.99842 1.37193 4.14824 ] [ 2.79546 2.80288 -0.167 ] [ 4.15007 4.1513 1.18971 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.84284e-11 -1.40014e-12 7.582920000000001e-14 ] [ 1.32272e-10 1.33713e-10 1.35336e-10 ] [ -1.67119e-11 2.81332e-10 2.70768e-10 ] [ 1.35941e-10 4.15239e-10 4.11153e-10 ] [ 2.7301e-10 3.28947e-12 2.73301e-10 ] [ 3.99842e-10 1.37193e-10 4.148240000000001e-10 ] [ 2.79546e-10 2.80288e-10 -1.67e-11 ] [ 4.150070000000001e-10 4.1513e-10 1.18971e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.2257357 0.3260833 -0.5604673 ] [ 1.0393108 1.8898495 0.7243087 ] [ 1.4564385 -0.7647366 0.3082414 ] [ -0.6128823 0.0472583 -2.3442359 ] [ -0.0198596 -0.5325742 -0.7482698 ] [ 1.6495359 -0.2874926 -1.096573 ] [ -0.3885701 -0.9834486 2.6219991 ] [ -0.8982375 0.3050609 1.0949968 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.566021702619923e-09 5.224430396933127e-10 -8.979676047828999e-10 ] [ 1.665159465504945e-09 3.027872685730569e-09 1.160470465382041e-09 ] [ 2.333471714333021e-09 -1.225243101590081e-09 4.938571646426612e-10 ] [ -9.819456923621318e-10 7.571614339875265e-11 -3.755879952620047e-09 ] [ -3.181858681843968e-11 -8.532779320812634e-10 -1.198860379610692e-09 ] [ 2.642847854150287e-09 -4.60613922373006e-10 -1.756903623600518e-09 ] [ -6.22557929761918e-10 -1.575658354678491e-09 4.200905657778641e-09 ] [ -1.43913512242584e-09 4.887614419002067e-10 1.754378272810814e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.03449 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.773361742045139e-18 } }