{ "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" [ [ 2.2030248999999995 -1.5376671999999998 4.841322899999999 ] [ -0.7609212999999999 -0.6971150999999999 0.47711689999999995 ] [ 0.35318279999999996 -3.3681363999999996 -1.8593140999999997 ] [ 3.1343668999999994 -0.13255289999999997 1.3788687999999998 ] [ -1.1012484999999999 1.6850648999999998 0.6058985999999998 ] [ -3.3532263999999996 3.2880199999999995 -1.6073114999999998 ] [ -0.6075676999999999 -0.6130738999999998 -1.2855661999999999 ] [ 0.13238929999999996 1.3754606999999999 -2.5510154999999997 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.529634989820257e-09 -2.463614438410997e-09 7.756654364123655e-09 ] [ -1.219130317128743e-09 -1.116901515226654e-09 7.644255425685715e-10 ] [ 5.658612250286822e-10 -5.396349395745476e-09 -2.978949581743793e-09 ] [ 5.021809368189371e-09 -2.123731573992403e-10 2.20919135451055e-09 ] [ -1.764394600391069e-09 2.69977158731069e-09 9.707565714954506e-10 ] [ -5.372460942329349e-09 5.267988772722815e-09 -2.575196907642979e-09 ] [ -9.73430764493228e-10 -9.822526694026769e-10 -2.059704110130697e-09 ] [ 2.121110413040774e-10 2.203730976369202e-09 -4.087177393398422e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.828891 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.657591543899153e-18 } }