{ "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" [ [ 1.477198 1.6776787 -4.7690803 ] [ -0.1040502 -0.1722708 3.9999992 ] [ 1.3546521 -1.6107604 1.7512718 ] [ -2.9310545 -3.095332 3.3974002 ] [ 2.9402761 3.4382389 -3.4552425 ] [ 0.5777549 -0.8873536 -1.6541785 ] [ 0.9859692 2.1338381 -1.1764821 ] [ -4.3007456 -1.4840388 1.9063122 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.366732099892519e-09 2.687937590354137e-09 -7.64090895937785e-09 ] [ -1.667067978295642e-10 -2.760082482065127e-10 6.408705201458703e-09 ] [ 2.170391923937624e-09 -2.580722654590456e-09 2.805846734626334e-09 ] [ -4.696066994190634e-09 -4.959268564014105e-09 5.443235171941244e-09 ] [ 4.710841626117003e-09 5.508665982305109e-09 -5.535908752694545e-09 ] [ 9.256653933326418e-10 -1.421697192302715e-09 -2.650286119330013e-09 ] [ 1.579696801068879e-09 3.418785516392293e-09 -1.884932115409688e-09 ] [ -6.890554052328468e-09 -2.377692269720087e-09 3.054248838785814e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.097954 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.623312133671385e-18 } }