{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.051273 2.837998 1.545633 ] [ 2.498541 2.310424 3.735737 ] [ 1.453493 4.519355 3.131974 ] [ 4.173987 2.427158 6.121254 ] [ 4.520065 2.264664 3.31985 ] [ 3.501394 4.313188 2.351729 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.051273e-10 2.837998e-10 1.545633e-10 ] [ 2.498541e-10 2.310424e-10 3.735737e-10 ] [ 1.453493e-10 4.519355e-10 3.131974e-10 ] [ 4.173987e-10 2.427158e-10 6.121254e-10 ] [ 4.520065e-10 2.264664e-10 3.31985e-10 ] [ 3.501394e-10 4.313188e-10 2.351729e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.930888 -5.6451815 -11.5925638 ] [ -6.1815067 -9.8876293 10.7681799 ] [ -7.7861476 7.3034537 4.4399434 ] [ -0.1344808 -0.0803309 -1.9468328 ] [ 9.0392984 -1.7972442 2.73394 ] [ 10.9937247 10.1069323 -4.4026668 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.50233009418327e-09 -9.044577819472674e-09 -1.857333469549241e-08 ] [ -9.90386551605856e-09 -1.584172849959707e-08 1.725252608434848e-08 ] [ -1.247478365081803e-08 1.170142276923526e-08 7.113573513155263e-09 ] [ -2.154619937064806e-10 -1.287042899078227e-10 -3.119169996766602e-09 ] [ 1.448255256491485e-08 -2.879502639108399e-09 4.380254750669953e-09 ] [ 1.761388868985149e-08 1.619309063906837e-08 -7.05384981613235e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.1174054 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.198987291035673e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.6976022 2.0771939 1.9219209 ] [ 1.6421114 2.420183 4.0666212 ] [ 1.692801 4.7768306 3.718204 ] [ 3.7402774 2.1094943 5.1524038 ] [ 4.9246698 2.7174012 3.1720309 ] [ 3.5012913 4.571684 2.1749962 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6976022e-10 2.0771939e-10 1.9219209e-10 ] [ 1.6421114e-10 2.420183e-10 4.066621200000001e-10 ] [ 1.692801e-10 4.7768306e-10 3.718204e-10 ] [ 3.7402774e-10 2.1094943e-10 5.1524038e-10 ] [ 4.9246698e-10 2.7174012e-10 3.1720309e-10 ] [ 3.5012913e-10 4.571684e-10 2.1749962e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.14e-05 1.34e-05 -1.1e-05 ] [ 1e-06 -3.6e-06 1.18e-05 ] [ 1.1e-06 -9.1e-06 2.8e-06 ] [ 3e-07 -5e-07 1.53e-05 ] [ -1.31e-05 -1.34e-05 2.2e-06 ] [ -7e-07 1.32e-05 -2.11e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.826481347712e-14 2.146916671872e-14 -1.76239428288e-14 ] [ 1.6021766208e-15 -5.76783583488e-15 1.890568412544e-14 ] [ 1.76239428288e-15 -1.457980724928e-14 4.48609453824e-15 ] [ 4.8065298624e-16 -8.010883104e-16 2.451330229824e-14 ] [ -2.098851373248e-14 -2.146916671872e-14 3.52478856576e-15 ] [ -1.12152363456e-15 2.114873139456e-14 -3.380592669888e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.124626 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.423232217554382e-18 } }