{ "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" [ [ 0.0701914 -0.2326371 1.9227326 ] [ -0.4835058 1.1582222 -1.6242909 ] [ -0.5407714 -0.1130933 -0.467681 ] [ 0.8411092 -0.0829788 0.5428473 ] [ 1.3056424 -1.0018833 0.3846356 ] [ -0.5182758 1.134884 -0.6286937 ] [ -1.5305918 -1.9255828 -1.1552567 ] [ 0.8562017 1.0630692 1.0257069 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.124590200612211e-10 -3.727257227507118e-10 3.080557219769998e-09 ] [ -7.746616887812006e-10 1.855676530531542e-09 -2.602400905358191e-09 ] [ -8.664112942772852e-10 -1.811954412291207e-10 -7.493075641923649e-10 ] [ 1.347605495779791e-09 -1.329466933820391e-10 8.697372527244038e-10 ] [ 2.091869728405202e-09 -1.605194000029953e-09 6.162541658473806e-10 ] [ -8.303693698864165e-10 1.818284612119987e-09 -1.007278347784249e-09 ] [ -2.45227839794819e-09 -3.085123743574602e-09 -1.850925275762559e-09 ] [ 1.371786346429215e-09 1.703224618532559e-09 1.643363614973244e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -26.132733 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.186925385020865e-18 } }