{ "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" [ [ 1.5181702 1.6513636 -4.6694761 ] [ 0.0137217 -0.2291346 3.9614074 ] [ 1.2290061 -1.4702704 1.5980525 ] [ -2.8568727 -3.0196441 3.29388 ] [ 2.8075743 3.4432284 -3.4077942 ] [ 0.4812647 -0.7983219 -1.5600878 ] [ 0.9307711 1.9662499 -1.2082742 ] [ -4.1236355 -1.543471 1.9922924 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.43237680083526e-09 2.645776152360123e-09 -7.481325438804363e-09 ] [ 2.198458693763136e-11 -3.671140991363597e-10 6.346874321744114e-09 ] [ 1.969084840240587e-09 -2.355632861134264e-09 2.560362354310992e-09 ] [ -4.577214648541772e-09 -4.838003180156657e-09 5.277377527720704e-09 ] [ 4.498229904618926e-09 5.516660042554592e-09 -5.45988819573784e-09 ] [ 7.710710507563257e-10 -1.279052684052636e-09 -2.499536199555306e-09 ] [ 1.491259695736299e-09 3.150279620430338e-09 -1.935868674755824e-09 ] [ -6.606792390800918e-09 -2.472913151082797e-09 3.192004305077522e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.182023 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.636781472304788e-18 } }