{ "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" [ 5.30636 0 0 ] "si-unit" "m" "si-value" [ 5.30636e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0781877 5.44815 0 ] "si-unit" "m" "si-value" [ -7.81877e-12 5.44815e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00200818 -0.0968672 5.44923 ] "si-unit" "m" "si-value" [ -2.00818e-13 -9.686720000000001e-12 5.44923e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0183636 0.00704735 0.0168371 ] [ 1.29138 1.3449 1.40641 ] [ -0.0614737 2.68753 2.83465 ] [ 1.25782 4.05715 4.11756 ] [ 2.70205 0.0250121 2.83894 ] [ 3.96698 1.43423 4.04452 ] [ 2.67871 2.79142 0.0958918 ] [ 4.00247 4.11579 1.29634 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.83636e-12 7.04735e-13 1.68371e-12 ] [ 1.29138e-10 1.3449e-10 1.40641e-10 ] [ -6.14737e-12 2.687530000000001e-10 2.83465e-10 ] [ 1.25782e-10 4.05715e-10 4.117560000000001e-10 ] [ 2.70205e-10 2.50121e-12 2.83894e-10 ] [ 3.96698e-10 1.43423e-10 4.044520000000001e-10 ] [ 2.67871e-10 2.79142e-10 9.589180000000001e-12 ] [ 4.00247e-10 4.11579e-10 1.29634e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.11069280000000002 -1.3746795000000003 1.1120599000000002 ] [ -0.9228385000000002 -0.043849000000000006 -0.2961809000000001 ] [ -0.5410648000000001 -1.5031835000000004 2.1384696000000005 ] [ -0.7888232000000002 0.24995950000000006 -0.5955889000000001 ] [ 0.6840480000000001 0.14187780000000003 1.3859403000000001 ] [ 0.17931760000000002 1.5327136000000003 -2.0591816000000005 ] [ 1.4347287000000002 0.4317167000000001 0.6224890000000001 ] [ 0.06532490000000002 0.5654444000000001 -2.3080073000000003 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.773494177120352e-10 -2.202479374138803e-09 1.781716387388377e-09 ] [ -1.478550281655609e-09 -7.0253843224266e-11 -4.745341174170907e-10 ] [ -8.668813800398834e-10 -2.40836548031434e-09 3.426206025639327e-09 ] [ -1.263834099397109e-09 4.00479270346323e-10 -9.542386190497627e-10 ] [ 1.095965722134432e-09 2.273132960433252e-10 2.22052116477895e-09 ] [ 2.872984687849584e-10 2.455677916534023e-09 -3.299172644682735e-09 ] [ 2.298688799269196e-09 6.91686409247588e-10 9.97337330722026e-10 ] [ 1.046620283983866e-10 9.059418055061496e-10 -3.697835367161428e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -0.6845656015624755 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.096795011263552e-19 } }