{ "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" [ 5.46402 0 0 ] "si-unit" "m" "si-value" [ 5.46402e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0122514 5.46447 0 ] "si-unit" "m" "si-value" [ 1.22514e-12 5.464470000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0384841 0.0769758 5.42124 ] "si-unit" "m" "si-value" [ -3.848410000000001e-12 7.69758e-12 5.42124e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.184284 -0.0140014 0.000758292 ] [ 1.32272 1.33713 1.35336 ] [ -0.167119 2.81332 2.70768 ] [ 1.35941 4.15239 4.11153 ] [ 2.7301 0.0328947 2.73301 ] [ 3.99842 1.37193 4.14824 ] [ 2.79546 2.80288 -0.167 ] [ 4.15007 4.1513 1.18971 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.84284e-11 -1.40014e-12 7.582920000000001e-14 ] [ 1.32272e-10 1.33713e-10 1.35336e-10 ] [ -1.67119e-11 2.81332e-10 2.70768e-10 ] [ 1.35941e-10 4.15239e-10 4.11153e-10 ] [ 2.7301e-10 3.28947e-12 2.73301e-10 ] [ 3.99842e-10 1.37193e-10 4.148240000000001e-10 ] [ 2.79546e-10 2.80288e-10 -1.67e-11 ] [ 4.150070000000001e-10 4.1513e-10 1.18971e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.6593022 0.2886143 -0.4019785 ] [ 0.9130257 2.0315992 0.6604268 ] [ 1.0101454 -0.7846337 0.1424798 ] [ -0.5948054 -0.0745953 -1.9688298 ] [ -0.0207293 -0.5035745 -0.7932743 ] [ 1.4420737 -0.0787487 -0.7531264 ] [ -0.5884928 -1.1852482 2.1117486 ] [ -0.5019151 0.306587 1.0025539 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.658495191682006e-09 4.624110838885575e-10 -6.440405547642528e-10 ] [ 1.462828430729555e-09 3.254980741075984e-09 1.058120378709757e-09 ] [ 1.618431343488665e-09 -1.257121770031801e-09 2.282778044962598e-10 ] [ -9.529833058055923e-10 -1.195148456815622e-10 -3.15441307589434e-09 ] [ -3.321199982554944e-11 -8.068152907310497e-10 -1.270965537341485e-09 ] [ 2.310456767610553e-09 -1.26169326058393e-10 -1.206641510587269e-09 ] [ -9.428694056691304e-10 -1.898976955885282e-09 3.383394235927131e-09 ] [ -8.04156638846494e-10 4.912065236412096e-10 1.606268419671861e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.295716038775918 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.771079187732236e-18 } }