{ "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" [ 5.34161 0 0 ] "si-unit" "m" "si-value" [ 5.341610000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0977669 5.5284 0 ] "si-unit" "m" "si-value" [ -9.776690000000001e-12 5.5284e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.072801 -0.0524088 5.47046 ] "si-unit" "m" "si-value" [ -7.280100000000001e-12 -5.24088e-12 5.470460000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0796719 -0.127908 0.00668105 ] [ 1.22031 1.46092 1.38882 ] [ -0.251468 2.67688 2.66146 ] [ 1.14494 4.10147 3.98362 ] [ 2.6636 -0.086404 2.79747 ] [ 4.00012 1.38046 4.02333 ] [ 2.71061 2.85329 -0.00699576 ] [ 4.09739 4.08725 1.448 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -7.967190000000001e-12 -1.27908e-11 6.68105e-13 ] [ 1.22031e-10 1.46092e-10 1.38882e-10 ] [ -2.51468e-11 2.67688e-10 2.66146e-10 ] [ 1.14494e-10 4.10147e-10 3.98362e-10 ] [ 2.663600000000001e-10 -8.6404e-12 2.79747e-10 ] [ 4.00012e-10 1.38046e-10 4.02333e-10 ] [ 2.71061e-10 2.85329e-10 -6.99576e-13 ] [ 4.09739e-10 4.08725e-10 1.448e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.1718087 0.2437864 -0.1205708 ] [ 0.3388553 -0.168221 -0.2056949 ] [ 0.2493898 -0.2001265 0.1185551 ] [ 0.0943238 -0.0460979 0.1613914 ] [ -0.1537157 0.1198959 -0.1960358 ] [ -0.1562074 -0.1682518 0.3921731 ] [ -0.2329154 -0.1005911 -0.0611517 ] [ -0.311539 0.3196059 -0.0886666 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.75267882390041e-10 3.905888705489971e-10 -1.931757169111526e-10 ] [ 5.429060394941703e-10 -2.695197533275968e-10 -3.295595597977939e-10 ] [ 3.995665070259879e-10 -3.206379995025312e-10 1.899462094966061e-10 ] [ 1.51123387145015e-10 -7.385697764797632e-11 2.585775278781811e-10 ] [ -2.462797007899066e-10 1.920944079097747e-10 -3.140839755998246e-10 ] [ -2.502718442759539e-10 -2.695691003675175e-10 6.283305721266605e-10 ] [ -3.731716085042803e-10 -1.611647086805549e-10 -9.797582406217537e-11 ] [ -4.991405022674112e-10 5.120651008497427e-10 -1.420595535658253e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 30.31629 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.857205106739284e-18 } }