{ "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" [ 5.44976 0 0 ] "si-unit" "m" "si-value" [ 5.449760000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0355309 5.38277 0 ] "si-unit" "m" "si-value" [ -3.55309e-12 5.38277e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.05055 0.148675 5.46244 ] "si-unit" "m" "si-value" [ 5.055e-12 1.48675e-11 5.46244e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0326933 -0.0289977 0.141129 ] [ 1.38935 1.3881 1.19735 ] [ 0.0127821 2.83796 2.59214 ] [ 1.40644 4.238 3.96398 ] [ 2.76811 0.0511022 2.83036 ] [ 4.1335 1.52222 4.23862 ] [ 2.69114 2.71897 0.000278438 ] [ 4.17588 4.12802 1.32379 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.26933e-12 -2.89977e-12 1.41129e-11 ] [ 1.38935e-10 1.3881e-10 1.19735e-10 ] [ 1.27821e-12 2.83796e-10 2.59214e-10 ] [ 1.40644e-10 4.238000000000001e-10 3.96398e-10 ] [ 2.76811e-10 5.11022e-12 2.830360000000001e-10 ] [ 4.1335e-10 1.52222e-10 4.23862e-10 ] [ 2.69114e-10 2.71897e-10 2.78438e-14 ] [ 4.17588e-10 4.12802e-10 1.32379e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.9253747 1.5246703 -3.7494535 ] [ 0.0368274 -0.2479549 2.8156191 ] [ 0.8215294 -2.0709737 1.9535346 ] [ -1.8016227 -1.6250087 2.0149628 ] [ 1.7224702 2.1252796 -2.1176553 ] [ 0.5508904 -0.5175042 -1.2635975 ] [ 0.6138223 1.5426268 -0.749535 ] [ -2.8692917 -0.7311352 1.0961248 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.482613709819814e-09 2.442791109088122e-09 -6.007286738476732e-09 ] [ 5.900399928484992e-11 -3.972675437928019e-10 4.511119095097937e-09 ] [ 1.316235197979852e-09 -3.318065644431673e-09 3.12990746404388e-09 ] [ -2.886517769442572e-09 -2.603550947736601e-09 3.228326289941706e-09 ] [ 2.759701484464701e-09 3.405073287783175e-09 -3.39285781257321e-09 ] [ 8.826237195031603e-10 -8.291331304058074e-10 -2.024506372601328e-09 ] [ 9.834517383856839e-10 2.471560593579517e-09 -1.200887453471328e-09 ] [ -4.597112079995487e-09 -1.171407724083932e-09 1.756185528039076e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -40.850183 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.544920815800162e-18 } }