{ "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" [ 5.42446 0 0 ] "si-unit" "m" "si-value" [ 5.42446e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00225581 5.46076 0 ] "si-unit" "m" "si-value" [ -2.25581e-13 5.46076e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0117255 0.0343157 5.56103 ] "si-unit" "m" "si-value" [ -1.17255e-12 3.43157e-12 5.56103e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0182071 0.00139191 0.0164222 ] [ 1.32892 1.32964 1.49498 ] [ -0.00509802 2.67752 2.7579 ] [ 1.15566 4.0451 4.18086 ] [ 2.64397 0.106198 2.73506 ] [ 4.03699 1.34406 4.11378 ] [ 2.695 2.72586 0.109097 ] [ 4.00933 4.13019 1.43696 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.82071e-12 1.39191e-13 1.64222e-12 ] [ 1.32892e-10 1.32964e-10 1.49498e-10 ] [ -5.098020000000001e-13 2.67752e-10 2.7579e-10 ] [ 1.15566e-10 4.0451e-10 4.18086e-10 ] [ 2.64397e-10 1.06198e-11 2.73506e-10 ] [ 4.036990000000001e-10 1.34406e-10 4.11378e-10 ] [ 2.695e-10 2.72586e-10 1.09097e-11 ] [ 4.009330000000001e-10 4.13019e-10 1.43696e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9674621 -0.1158529 0.1878166 ] [ -0.1604296 0.8043118 -1.6766634 ] [ -1.1668683 0.4068816 0.1929922 ] [ 2.189204 0.596659 0.1121676 ] [ 0.0985083 -2.061284 1.461571 ] [ -0.0731039 0.6708613 1.0116812 ] [ -0.434464 -0.3231109 -1.0841428 ] [ 0.5146156 0.0215341 -0.2054224 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.550045158130072e-09 -1.856168078318803e-10 3.009153655181453e-10 ] [ -2.570365544042957e-10 1.288649561793565e-09 -2.686310900431039e-09 ] [ -1.869529109812641e-09 6.518961869536974e-10 3.092075908367577e-10 ] [ 3.507491466961843e-09 9.559531003899072e-10 1.797123063312461e-10 ] [ 1.578276952147526e-10 -3.302541033629108e-09 2.341694885839277e-09 ] [ -1.171253594693011e-10 1.074838290659495e-09 1.620891966342889e-09 ] [ -6.960880633792512e-10 -5.176807299056467e-10 -1.73698824776865e-09 ] [ 8.245050830189644e-10 3.450143156996928e-11 -3.29122966668626e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -22.100625 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.5409104680068e-18 } }