{ "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" [ [ -1.0136215 -1.1324575 -0.4762322 ] [ 0.0331838 0.6121213 0.7487018 ] [ -1.2557496 -1.5089626 -1.7873364 ] [ 0.2809201 3.0881532 -0.6634725 ] [ -0.9108206 -1.415888 -0.2578232 ] [ 0.0960225 0.9635546 1.7890691 ] [ 1.5223406 -2.5711017 -0.4091669 ] [ 1.2477247 1.9645808 1.0562602 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.624000669640227e-09 -1.814396930549616e-09 -7.630080969121497e-10 ] [ 5.316630854930304e-11 9.80726435953703e-10 1.199552519910877e-09 ] [ -2.011932650698952e-09 -2.417624599381582e-09 -2.863628593584837e-09 ] [ 4.500836165327981e-10 4.947766858488707e-09 -1.063000128043728e-09 ] [ -1.459295471063029e-09 -2.268502651271271e-09 -4.130783033398425e-10 ] [ 1.53845004570768e-10 1.543784652984296e-09 2.866404685015697e-09 ] [ 2.439058518214644e-09 -4.119359033439135e-09 -6.555576411852116e-10 ] [ 1.999075343534694e-09 3.147605427432561e-09 1.692315397921533e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -24.712647 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.959402526148326e-18 } }