{ "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" [ [ 1.0488065 1.1779929 -2.7788731 ] [ -1.7036341 -1.7435803 0.6461994 ] [ 0.1666955 0.1204758 0.7669786 ] [ 0.0001002 0.7235135 0.4407204 ] [ 0.1724436 -0.4429428 1.2868827 ] [ 0.0140645 -0.5463849 1.4984701 ] [ 0.7659499 0.8440934 -2.8203239 ] [ -0.4644263 -0.1331676 0.9599458 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.680373267887321e-09 1.887352699397898e-09 -4.452245549671145e-09 ] [ -2.729522747905619e-09 -2.79352361616271e-09 1.03532557958482e-09 ] [ 2.670756350929469e-10 1.930235117224572e-10 1.228835191698032e-09 ] [ 1.605380987268e-13 1.159196424083559e-09 7.061119270071335e-10 ] [ 2.762851066028423e-10 -7.096726043585352e-10 2.061813392638832e-09 ] [ 2.2533813268893e-11 -8.754051199504264e-10 2.400813780967643e-09 ] [ 1.227187032594636e-09 1.352386722393615e-09 -4.518657052891753e-09 ] [ -7.440929660750742e-10 -2.133580171258584e-10 1.538002730666437e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.084844 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.781429389833509e-18 } }