{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.46402e-10 0.0 0.0 ] "source-value" [ 5.46402 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.22514e-12 5.464470000000001e-10 0.0 ] "source-value" [ 0.0122514 5.46447 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -3.848410000000001e-12 7.69758e-12 5.42124e-10 ] "source-value" [ -0.0384841 0.0769758 5.42124 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -5.374805888031552e-09 -4.135411721655917e-10 -1.751378677741351e-09 ] [ 2.651335224581313e-09 3.395189460209461e-09 2.714104178707381e-09 ] [ 1.192051930060602e-09 -8.371371241503379e-10 9.696082915113237e-10 ] [ -2.027721941079274e-09 1.602798425546532e-09 -5.738763218571949e-09 ] [ -4.162752865689869e-10 -9.806551390940774e-10 -4.641640253293747e-10 ] [ 3.52359542483049e-09 -1.787057388692285e-09 -1.812730025993336e-09 ] [ 1.410758812077189e-09 -1.492301911628129e-09 5.430022181567169e-09 ] [ -9.589382758697817e-10 5.127050101920902e-10 6.53301295850139e-10 ] ] "source-value" [ [ -3.35469 -0.2581121 -1.0931246 ] [ 1.6548333 2.1191106 1.6940106 ] [ 0.7440203 -0.5224999 0.6051819 ] [ -1.2656045 1.0003881 -3.5818543 ] [ -0.2598186 -0.6120768 -0.2897084 ] [ 2.1992553 -1.1153935 -1.1314171 ] [ 0.8805264 -0.9314216 3.3891533 ] [ -0.5985222 0.3200053 0.4077586 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.84284e-11 -1.40014e-12 7.582920000000001e-14 ] [ 1.32272e-10 1.33713e-10 1.35336e-10 ] [ -1.67119e-11 2.81332e-10 2.70768e-10 ] [ 1.35941e-10 4.15239e-10 4.11153e-10 ] [ 2.7301e-10 3.28947e-12 2.73301e-10 ] [ 3.99842e-10 1.37193e-10 4.148240000000001e-10 ] [ 2.79546e-10 2.80288e-10 -1.67e-11 ] [ 4.150070000000001e-10 4.1513e-10 1.18971e-10 ] ] "source-value" [ [ 0.184284 -0.0140014 0.000758292 ] [ 1.32272 1.33713 1.35336 ] [ -0.167119 2.81332 2.70768 ] [ 1.35941 4.15239 4.11153 ] [ 2.7301 0.0328947 2.73301 ] [ 3.99842 1.37193 4.14824 ] [ 2.79546 2.80288 -0.167 ] [ 4.15007 4.1513 1.18971 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -9.924372255281166e-18 "source-value" -61.94306 } }