{ "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" [ 5.44188 0 0 ] "si-unit" "m" "si-value" [ 5.44188e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0681259 5.43851 0 ] "si-unit" "m" "si-value" [ -6.812590000000001e-12 5.43851e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00252152 -0.017859 5.5414 ] "si-unit" "m" "si-value" [ -2.52152e-13 -1.7859e-12 5.5414e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00431502 -0.0137584 0.0307734 ] [ 1.33409 1.32426 1.37744 ] [ 0.0396224 2.60036 2.83022 ] [ 1.35045 4.04355 3.98016 ] [ 2.67673 0.013858 2.80413 ] [ 4.08887 1.41719 3.918 ] [ 2.72143 2.70354 0.017408 ] [ 3.9766 4.07774 1.36794 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.31502e-13 -1.37584e-12 3.07734e-12 ] [ 1.33409e-10 1.32426e-10 1.37744e-10 ] [ 3.962240000000001e-12 2.60036e-10 2.83022e-10 ] [ 1.35045e-10 4.04355e-10 3.98016e-10 ] [ 2.67673e-10 1.3858e-12 2.80413e-10 ] [ 4.08887e-10 1.41719e-10 3.918e-10 ] [ 2.72143e-10 2.70354e-10 1.7408e-12 ] [ 3.9766e-10 4.077740000000001e-10 1.36794e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.3831426 -0.2930678 -0.9743506 ] [ 0.1627889 0.0940917 -1.0125871 ] [ 0.1351763 1.1105711 -0.9800739 ] [ -0.2808869 0.0853737 1.5988446 ] [ 0.3797084 -0.0848149 -0.2040716 ] [ -0.4951462 -0.6304331 1.8525076 ] [ -0.0682843 -0.2572767 -0.5316332 ] [ 0.5497864 -0.0244439 0.2513642 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.138621161525262e-10 -4.695463774692902e-10 -1.561081751782453e-09 ] [ 2.608165697057491e-10 1.507515219513274e-10 -1.622343378143672e-09 ] [ 2.165763075462471e-10 1.779331052156139e-09 -1.570251489236277e-09 ] [ -4.500304242689875e-10 1.36783746171193e-10 2.561631438412328e-09 ] [ 6.083599212013747e-10 -1.358884498754899e-10 -3.269587464892493e-10 ] [ -7.93311665517961e-10 -1.010065173798468e-09 2.968044366574318e-09 ] [ -1.094035090276934e-10 -4.122027138165754e-10 -8.517702838810906e-10 ] [ 8.808549165137972e-10 -3.916344510117312e-11 4.027298445460953e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 637.4725 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.021343535902928e-16 } }