{ "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" [ [ 2.0440241999999995 -1.2869320999999998 4.816795699999999 ] [ -1.4936709999999997 -0.27713259999999995 0.9337744999999998 ] [ 0.13528839999999998 -3.2437344999999995 -2.3573831999999997 ] [ 2.9187250999999996 -0.03357229999999999 1.6335893999999997 ] [ -0.8407719999999999 1.5075001999999997 0.49712579999999995 ] [ -2.7121870999999995 2.9837058999999995 -0.6166405999999999 ] [ -0.47180039999999995 -1.0936478999999997 -2.0862398999999994 ] [ 0.42039289999999996 1.4438132999999997 -2.8210217999999996 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.274887812570542e-09 -2.061892540164551e-09 7.717357521291672e-09 ] [ -2.393124775083413e-09 -4.440153762396683e-10 1.496071685325033e-09 ] [ 2.167559133312455e-10 -5.197035622799672e-09 -3.776944280424148e-09 ] [ 4.676313156289312e-09 -5.378875460963819e-11 2.617298766230079e-09 ] [ -1.347065252921448e-09 2.415281596190326e-09 7.964833409185571e-10 ] [ -4.34540279865622e-09 4.78042387570794e-09 -9.879671608957403e-10 ] [ -7.559075767918535e-10 -1.752217111203168e-09 -3.342524820698495e-09 ] [ 6.735436814794984e-10 2.313243933118432e-09 -4.51977521196462e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -31.915072292303478 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.113358309914945e-18 } }