{ "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" [ [ 5.269609699999999 -1.1666351999999998 16.245101099999996 ] [ -4.987514799999999 -7.1556695999999995 -5.875417699999999 ] [ -1.1602518999999998 -3.1771106999999996 -0.6289547999999999 ] [ 8.123017499999998 -3.8132913999999998 5.116234499999999 ] [ -1.7219770999999997 2.5916560999999994 1.1086389999999997 ] [ -7.509322399999999 8.703873799999998 -0.38526989999999994 ] [ -1.6138025999999999 -0.8099770999999999 -7.876296299999999 ] [ 3.6002415999999995 4.827153999999999 -7.704035899999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.442845531639748e-09 -1.869155657841916e-09 2.602752139938769e-08 ] [ -7.99087967428918e-09 -1.146464663374413e-08 -9.41345695393002e-09 ] [ -1.858928483734104e-09 -5.090292527171383e-09 -1.007696684402143e-09 ] [ 1.301450883607309e-08 -6.109566379713146e-09 8.197111369964671e-09 ] [ -2.758911473903081e-09 4.152290846783566e-09 1.776235501341125e-09 ] [ -1.20312608864528e-08 1.394514322764479e-08 -6.172704315635165e-10 ] [ -2.585596817608448e-09 -1.297726383695081e-09 -1.261921789432065e-08 ] [ 5.768222968274773e-09 7.733953347519634e-09 -1.234322630647716e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -29.668024 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.753341482975121e-18 } }