{ "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" [ 5.4419 0 0 ] "si-unit" "m" "si-value" [ 5.441900000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.361794 5.44502 0 ] "si-unit" "m" "si-value" [ 3.61794e-11 5.44502e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0366443 0.298499 5.53333 ] "si-unit" "m" "si-value" [ 3.66443e-12 2.98499e-11 5.53333e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.128377 -0.150066 -0.170326 ] [ 1.39649 1.37402 1.31098 ] [ -0.0542726 2.97617 3.14736 ] [ 1.41657 4.24499 4.02908 ] [ 2.7363 -0.234712 2.6251 ] [ 4.24505 1.08558 3.99518 ] [ 2.94651 2.56191 -0.00354123 ] [ 4.33312 3.8007 1.43779 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.28377e-11 -1.50066e-11 -1.70326e-11 ] [ 1.39649e-10 1.37402e-10 1.31098e-10 ] [ -5.42726e-12 2.97617e-10 3.14736e-10 ] [ 1.41657e-10 4.24499e-10 4.02908e-10 ] [ 2.7363e-10 -2.34712e-11 2.6251e-10 ] [ 4.24505e-10 1.08558e-10 3.99518e-10 ] [ 2.94651e-10 2.56191e-10 -3.54123e-13 ] [ 4.33312e-10 3.8007e-10 1.43779e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.6459687999999995 -1.7288799999999998 5.711498799999999 ] [ -0.8028894999999999 -0.6217333999999999 0.16498399999999996 ] [ -0.0020498999999999995 -3.9964225999999994 -1.6362741999999997 ] [ 4.195796499999999 -0.06811639999999998 1.3527493999999998 ] [ -1.5285508999999997 2.0517480999999997 1.0503737999999998 ] [ -3.9513418999999996 3.5359987999999998 -1.9237801999999997 ] [ -0.40576759999999995 -0.35875199999999996 -1.4019388999999998 ] [ -0.15116539999999998 1.1861573999999997 -3.3176126999999997 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.23930935072623e-09 -2.769971116168703e-09 9.150829847087254e-09 ] [ -1.286370785985802e-09 -9.961267178504947e-10 2.643335076060672e-10 ] [ -3.284301854977919e-12 -6.402974856556749e-09 -2.621600268458223e-09 ] [ 6.722407057934467e-09 -1.091345035730611e-10 2.167343462481227e-09 ] [ -2.449008515682798e-09 3.28726283759082e-09 1.682884345460855e-09 ] [ -6.330747612967451e-09 5.665294608536855e-09 -3.082235659997948e-09 ] [ -6.501113621981261e-10 -5.747840670652416e-10 -2.246153729370068e-09 ] [ -2.421936697538803e-10 1.900433654868913e-09 -5.315401504809164e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -32.794953 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.254330697683483e-18 } }