{ "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" [ 5.46441 0 0 ] "si-unit" "m" "si-value" [ 5.46441e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.239301 5.60761 0 ] "si-unit" "m" "si-value" [ 2.39301e-11 5.60761e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.167861 -0.733416 5.71653 ] "si-unit" "m" "si-value" [ 1.67861e-11 -7.33416e-11 5.71653e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00327702 -0.0382766 0.433443 ] [ 1.09616 1.45225 1.46895 ] [ 0.130178 2.57242 2.88603 ] [ 1.56489 3.87283 4.50025 ] [ 2.74098 -0.214768 2.33093 ] [ 4.21449 1.24218 3.87733 ] [ 2.20243 2.94328 0.228142 ] [ 4.00805 4.02926 1.38377 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.27702e-13 -3.82766e-12 4.33443e-11 ] [ 1.09616e-10 1.45225e-10 1.46895e-10 ] [ 1.30178e-11 2.57242e-10 2.88603e-10 ] [ 1.56489e-10 3.87283e-10 4.500250000000001e-10 ] [ 2.74098e-10 -2.14768e-11 2.33093e-10 ] [ 4.21449e-10 1.24218e-10 3.87733e-10 ] [ 2.20243e-10 2.94328e-10 2.28142e-11 ] [ 4.00805e-10 4.02926e-10 1.38377e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.0840593 -8.0005706 -1.829882 ] [ 15.0877296 -6.8051535 -7.8233254 ] [ -5.6462618 16.4497655 10.8949952 ] [ -0.2215942 -3.1631052 -0.9559877 ] [ -27.3404436 37.4895052 24.129053 ] [ -4.8832776 -3.9113994 0.8303785 ] [ 1.4210845 3.6898785 -0.1064833 ] [ 27.6668225 -35.7489205 -25.1387484 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.747737570020814e-09 -1.281832716837983e-08 -2.931794159222746e-09 ] [ 2.417320762607214e-08 -1.090305783865529e-08 -1.253434905279081e-08 ] [ -9.046308650876127e-09 2.635542970174243e-08 1.745570659316822e-08 ] [ -3.550330465448794e-10 -5.067853200570908e-09 -1.531661142712364e-09 ] [ -4.380421953822099e-08 6.006480875680003e-08 3.865900459864411e-08 ] [ -7.823873203596335e-09 -6.266752673291148e-09 1.330413019114973e-09 ] [ 2.276828362081258e-09 5.911837066292573e-09 -1.706050537656327e-10 ] [ 4.432713618132341e-08 -5.727608464393784e-08 -4.027671496265341e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -48.340227 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.744958154356492e-18 } }