{ "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" [ 5.43808 0 0 ] "si-unit" "m" "si-value" [ 5.438080000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.036104 5.43472 0 ] "si-unit" "m" "si-value" [ -3.6104e-12 5.434720000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0778792 -0.0548884 5.50823 ] "si-unit" "m" "si-value" [ 7.78792e-12 -5.48884e-12 5.50823e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0442028 -0.0162787 0.186746 ] [ 1.46625 1.46109 1.35616 ] [ 0.0256733 2.72542 2.65757 ] [ 1.37985 4.00669 4.1027 ] [ 2.74744 0.0130417 2.60748 ] [ 4.13581 1.33996 3.97093 ] [ 2.70334 2.70384 0.0742117 ] [ 4.06803 4.03744 1.33105 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.42028e-12 -1.62787e-12 1.86746e-11 ] [ 1.46625e-10 1.46109e-10 1.35616e-10 ] [ 2.56733e-12 2.72542e-10 2.65757e-10 ] [ 1.37985e-10 4.00669e-10 4.1027e-10 ] [ 2.74744e-10 1.30417e-12 2.60748e-10 ] [ 4.13581e-10 1.33996e-10 3.97093e-10 ] [ 2.70334e-10 2.70384e-10 7.42117e-12 ] [ 4.068030000000001e-10 4.03744e-10 1.33105e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.2818489 3.1956045 2.7098857 ] [ -3.8500234 -5.1081933 5.4078829 ] [ 0.9551496 -0.6867884 5.4968577 ] [ -1.7435057 -6.3157758 -5.4083612 ] [ 3.730087 4.6767842 0.5086016 ] [ -1.3245573 0.855011 -10.1505886 ] [ 2.2187585 5.5746347 -1.169545 ] [ -3.2677575 -2.1912768 2.6052669 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.258101580578197e-09 5.119922819223274e-09 4.341715513580242e-09 ] [ -6.168417481012927e-09 -8.1842278797872e-09 8.664383550404104e-09 ] [ 1.530318358486472e-09 -1.100356317916639e-09 8.80693689480446e-09 ] [ -2.793404070771539e-09 -1.011898832897442e-08 -8.665149871481833e-09 ] [ 5.97625818495001e-09 7.493034305766831e-09 8.148695928214733e-10 ] [ -2.122174738969972e-09 1.369878634726829e-09 -1.626303574227901e-08 ] [ 3.554842995901277e-09 8.931549385840422e-09 -1.873817655973536e-09 ] [ -5.235524668943857e-09 -3.510812458661437e-09 4.174097718124092e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.61383 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.501611338714566e-18 } }