{ "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" [ 5.4726 0 0 ] "si-unit" "m" "si-value" [ 5.4726e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.038105 5.56078 0 ] "si-unit" "m" "si-value" [ 3.8105e-12 5.560780000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0300683 -0.0732695 5.55519 ] "si-unit" "m" "si-value" [ -3.00683e-12 -7.32695e-12 5.55519e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0119551 0.065874 -0.0174062 ] [ 1.35048 1.36142 1.35358 ] [ 0.0629681 2.82177 2.8468 ] [ 1.33242 4.00392 4.21267 ] [ 2.75302 -0.0155517 2.72 ] [ 4.0777 1.32793 4.00537 ] [ 2.56601 2.8685 0.00815077 ] [ 4.04738 3.99965 1.27482 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.19551e-12 6.587400000000001e-12 -1.74062e-12 ] [ 1.35048e-10 1.36142e-10 1.35358e-10 ] [ 6.296810000000001e-12 2.82177e-10 2.8468e-10 ] [ 1.33242e-10 4.00392e-10 4.21267e-10 ] [ 2.75302e-10 -1.55517e-12 2.72e-10 ] [ 4.0777e-10 1.32793e-10 4.00537e-10 ] [ 2.56601e-10 2.8685e-10 8.15077e-13 ] [ 4.047380000000001e-10 3.99965e-10 1.27482e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.7175934 -3.9017229 1.7481535 ] [ 0.0289099 0.4856475 0.7500701 ] [ -1.6121752 -1.7073852 -2.1354145 ] [ 4.1597397 7.8879948 -5.0140365 ] [ -5.0509323 -5.5635121 3.8143502 ] [ -3.8903603 4.7544025 6.1358635 ] [ 6.042295 -6.9296444 -4.267532 ] [ 4.0401166 4.9742197 -1.0314542 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.956241280192615e-09 -6.251249262722719e-09 2.800850690345319e-09 ] [ 4.63187662712766e-11 7.780930768605149e-10 1.201744788082043e-09 ] [ -2.582989435354277e-09 -2.735532672677417e-09 -3.421311215804793e-09 ] [ 6.664637750862169e-09 1.26379609576735e-08 -8.033372122323139e-09 ] [ -8.092485710975878e-09 -8.913729089596269e-09 6.111262764333225e-09 ] [ -6.23304437050123e-09 7.617392594131186e-09 9.830737129113458e-09 ] [ 9.680823864735028e-09 -1.110251433960895e-08 -6.837340055247288e-09 ] [ 6.472980415155524e-09 7.969578575722488e-09 -1.652571818281163e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.413205 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.513603295205197e-18 } }