{ "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" [ 5.45158 0 0 ] "si-unit" "m" "si-value" [ 5.45158e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0257054 5.42445 0 ] "si-unit" "m" "si-value" [ -2.57054e-12 5.424450000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0529382 0.0294769 5.34001 ] "si-unit" "m" "si-value" [ -5.29382e-12 2.94769e-12 5.34001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0143981 -0.000418648 -0.00412545 ] [ 1.32176 1.3194 1.55836 ] [ -0.0742391 2.6807 2.85755 ] [ 1.24493 4.07168 4.08922 ] [ 2.604 0.0471177 2.81384 ] [ 3.98318 1.33506 4.22092 ] [ 2.76065 2.8474 0.244257 ] [ 4.05568 4.10688 1.45974 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.43981e-12 -4.18648e-14 -4.12545e-13 ] [ 1.32176e-10 1.3194e-10 1.55836e-10 ] [ -7.42391e-12 2.6807e-10 2.85755e-10 ] [ 1.24493e-10 4.07168e-10 4.08922e-10 ] [ 2.604e-10 4.71177e-12 2.81384e-10 ] [ 3.98318e-10 1.33506e-10 4.22092e-10 ] [ 2.76065e-10 2.8474e-10 2.44257e-11 ] [ 4.05568e-10 4.10688e-10 1.45974e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.149171 -0.4492258 1.7691902 ] [ -0.331518 1.0811765 -1.2220662 ] [ -0.3038567 -0.0751898 -0.2900193 ] [ 0.6666995 0.4066004 0.4485176 ] [ 0.9494939 -1.0186389 0.4754434 ] [ -0.1126825 1.0347348 -0.7880042 ] [ -1.3116431 -1.8682356 -1.1288911 ] [ 0.5926778 0.8887784 0.7358295 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.389982887013568e-10 -7.197390742201767e-10 2.834555176188476e-09 ] [ -5.311503889743744e-10 1.732235711258371e-09 -1.957965894709897e-09 ] [ -4.868321008134393e-10 -1.204673396826278e-10 -4.646621420407814e-10 ] [ 1.06817035199905e-09 6.514456548879283e-10 7.186044127373261e-10 ] [ 1.521256928172213e-09 -1.632039430617429e-09 7.617442999936628e-10 ] [ -1.80537267073296e-10 1.657827905288164e-09 -1.262521906332207e-09 ] [ -2.101483909653637e-09 -2.99324340046626e-09 -1.808682927849195e-09 ] [ 9.495745148271784e-10 1.423979973552031e-09 1.178928821794954e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -37.023154 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.9317631767078e-18 } }