{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.438080000000001e-10 0.0 0.0 ] "source-value" [ 5.43808 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -3.6104e-12 5.434720000000001e-10 0.0 ] "source-value" [ -0.036104 5.43472 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 7.78792e-12 -5.48884e-12 5.50823e-10 ] "source-value" [ 0.0778792 -0.0548884 5.50823 ] } "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" [ [ 1.617155530245521e-09 1.855434441644139e-09 -4.241262243809324e-09 ] [ -2.475767749168076e-09 -2.312247360201959e-09 8.730109802136845e-10 ] [ 2.338083579735994e-10 2.169657966827635e-10 6.065249483175726e-10 ] [ 1.854803023837882e-10 1.061609118301549e-09 8.525555106429447e-10 ] [ -4.66105222523136e-11 -8.623204567113966e-10 1.680109055118305e-09 ] [ 2.88199530549504e-12 -7.128096603352167e-10 2.691701103236396e-09 ] [ 1.165324900325403e-09 1.081902768033589e-09 -4.013402447193431e-09 ] [ -6.82272975031079e-10 -3.285348076311303e-10 1.550763093473852e-09 ] ] "source-value" [ [ 1.0093491 1.1580711 -2.6471877 ] [ -1.5452527 -1.4431913 0.5448906 ] [ 0.1459317 0.1354194 0.3785631 ] [ 0.1157677 0.6626043 0.5321233 ] [ -0.029092 -0.5382181 1.0486416 ] [ 0.0017988 -0.4449008 1.6800277 ] [ 0.7273386 0.6752706 -2.5049688 ] [ -0.4258413 -0.2050553 0.9679102 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -4.090961734576752e-18 "source-value" -25.533775 } }