{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.70835 3.598 3.116557 ] [ 5.398567 2.472121 1.998263 ] [ 3.170959 1.761622 1.993892 ] [ 5.798068 2.225895 4.322659 ] [ 3.522139 1.857386 4.354431 ] [ 3.141461 3.938126 0.8725825 ] [ 4.820562 4.158888 3.263025 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.70835e-10 3.598e-10 3.116557e-10 ] [ 5.398567e-10 2.472121e-10 1.998263e-10 ] [ 3.170959e-10 1.761622e-10 1.993892e-10 ] [ 5.798068e-10 2.225895e-10 4.322659e-10 ] [ 3.522139e-10 1.857386e-10 4.354431e-10 ] [ 3.141461e-10 3.938126e-10 8.725825e-11 ] [ 4.820562e-10 4.158888e-10 3.263025e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.2539592 -1.6359063 -1.4011502 ] [ -5.6369777 -1.5458732 3.244875 ] [ 4.8267822 4.7656774 2.2778835 ] [ -5.7527453 3.1221878 -5.7392483 ] [ 3.2400807 4.250144 -7.0929022 ] [ 2.3268947 -4.8533562 7.1340806 ] [ -0.2579939 -4.1028735 1.5764616 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.009064113677071e-09 -2.621010827679431e-09 -2.244890092669244e-09 ] [ -9.031433882910956e-09 -2.476761899761283e-09 5.1988628624184e-09 ] [ 7.73335759453359e-09 7.635456912554931e-09 3.649571688606078e-09 ] [ -9.216914025077082e-09 5.002296298906986e-09 -9.195289447226144e-09 ] [ 5.191181547045298e-09 6.809481351833395e-09 -1.136408207846089e-08 ] [ 3.728096287403429e-09 -7.77593383605473e-09 1.143005714822284e-08 ] [ -4.133517948890131e-10 -6.573527999799869e-09 2.525769919108962e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -39.052032 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.256825266513346e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4495398 3.5968629 3.1244361 ] [ 5.0839242 2.2420257 2.1322162 ] [ 2.9316128 1.8069316 1.9211051 ] [ 5.963126 2.4922602 4.1456319 ] [ 3.8061076 2.0556037 3.9310131 ] [ 3.7248808 3.7829218 1.3291241 ] [ 4.6009148 4.035432 3.337883 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4495398e-10 3.5968629e-10 3.1244361e-10 ] [ 5.083924200000001e-10 2.2420257e-10 2.1322162e-10 ] [ 2.9316128e-10 1.8069316e-10 1.9211051e-10 ] [ 5.963126e-10 2.4922602e-10 4.1456319e-10 ] [ 3.8061076e-10 2.0556037e-10 3.9310131e-10 ] [ 3.724880800000001e-10 3.7829218e-10 1.3291241e-10 ] [ 4.6009148e-10 4.035432e-10 3.337883e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0001164 -5.54e-05 3.27e-05 ] [ -8.56e-05 -2.14e-05 -8.4e-05 ] [ 4.8e-05 -2.06e-05 -3.56e-05 ] [ 1.26e-05 -5.9e-06 2.84e-05 ] [ -4.62e-05 0.0001029 1.02e-05 ] [ 7e-07 -1.6e-05 -1.44e-05 ] [ -4.58e-05 1.64e-05 6.27e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.8649335866112e-13 -8.876058479231999e-14 5.239117550016001e-14 ] [ -1.3714631874048e-13 -3.428657968511999e-14 -1.345828361472e-13 ] [ 7.69044777984e-14 -3.300483838848e-14 -5.703748770048e-14 ] [ 2.018742542208e-14 -9.45284206272e-15 4.550181603071999e-14 ] [ -7.402055988096e-14 1.6486397428032e-13 1.634220153216e-14 ] [ 1.12152363456e-15 -2.56348259328e-14 -2.307134333952e-14 ] [ -7.337968923264e-14 2.627569658112e-14 1.0045647412416e-13 ] ] } "relaxed-potential-energy" { "source-value" -50.517683 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.093825063958561e-18 } }