{ "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" [ 5.47613 0 0 ] "si-unit" "m" "si-value" [ 5.476130000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0968569 5.44973 0 ] "si-unit" "m" "si-value" [ -9.68569e-12 5.44973e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0334568 0.0277585 5.60527 ] "si-unit" "m" "si-value" [ -3.34568e-12 2.77585e-12 5.60527e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.000509808 0.0158858 0.00549688 ] [ 1.34999 1.33014 1.19729 ] [ 0.0276425 2.69054 2.64154 ] [ 1.36667 4.13087 4.06954 ] [ 2.77416 0.0351576 2.5647 ] [ 4.07457 1.31666 4.03649 ] [ 2.84869 2.60665 0.046702 ] [ 4.10529 4.27129 1.35792 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.098080000000001e-14 1.58858e-12 5.49688e-13 ] [ 1.34999e-10 1.33014e-10 1.19729e-10 ] [ 2.76425e-12 2.69054e-10 2.64154e-10 ] [ 1.36667e-10 4.13087e-10 4.06954e-10 ] [ 2.77416e-10 3.51576e-12 2.5647e-10 ] [ 4.07457e-10 1.31666e-10 4.03649e-10 ] [ 2.84869e-10 2.60665e-10 4.6702e-12 ] [ 4.10529e-10 4.27129e-10 1.35792e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6930888 -0.3214665 -3.1417867 ] [ 0.3960228 0.5677948 1.4625161 ] [ -0.4140648 0.8671771 0.4594814 ] [ 0.0811382 -0.8804731 1.3157884 ] [ -0.9941918 0.176697 1.349117 ] [ 0.6463997 0.6182407 0.815365 ] [ -0.4724049 2.0357609 -2.2755684 ] [ 0.0640121 -3.0637309 0.0150872 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.110450680647099e-09 -5.150461149137609e-10 -5.033697239751968e-09 ] [ 6.344984766912551e-10 9.097075614667032e-10 2.343209122268807e-09 ] [ -6.634049475218831e-10 1.389370887159881e-09 7.361703628376075e-10 ] [ 1.299977281648188e-10 -1.410673427685545e-09 2.108125429768245e-09 ] [ -1.592870871674401e-09 2.830998046978979e-10 2.161523733932178e-09 ] [ 1.03564649556461e-09 9.905308037278037e-10 1.30635875118141e-09 ] [ -7.568760925671066e-10 3.261648546390811e-09 -3.645862519548766e-09 ] [ 1.025586909132714e-10 -4.90863806084379e-09 2.41723593124848e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -34.324973292303476 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.499467017160268e-18 } }