{ "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" [ [ -1.4880257 -1.5850731 -0.9836719 ] [ 0.3551813 0.858898 1.0306554 ] [ -2.7837104 -2.4197352 -3.3388207 ] [ -0.2421675 5.5454576 -1.2056499 ] [ -1.4456582 -2.000826 -0.7601062 ] [ 0.8959279 1.1989789 2.3525768 ] [ 2.4219203 -4.2235159 0.8865572 ] [ 2.2865323 2.6258158 2.0184595 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.384079987689555e-09 -2.539567063078981e-09 -1.576016120717916e-09 ] [ 5.69063175005351e-10 1.376106295251878e-09 1.651291985981273e-09 ] [ -4.459995721957816e-09 -3.876843165966812e-09 -5.34938046658309e-09 ] [ -3.87995106817584e-10 8.884802518357679e-09 -1.931664082649858e-09 ] [ -2.316199769707811e-09 -3.205676639488781e-09 -1.217824382965129e-09 ] [ 1.43543473530244e-09 1.920975962412501e-09 3.769243547596477e-09 ] [ 3.880344082100923e-09 -6.766818432557071e-09 1.42042121884191e-09 ] [ 3.663428593764052e-09 4.207020685287248e-09 3.233928620931658e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.182895 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.636921182106122e-18 } }