{ "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" [ [ 2.457406 2.100076 2.252169 ] [ 2.703043 4.198802 1.427674 ] [ 1.54274 3.831579 3.120531 ] [ 4.586348 2.503005 1.027399 ] [ 4.020521 2.853252 3.469677 ] [ 5.359849 4.671518 1.954564 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.457406e-10 2.100076e-10 2.252169e-10 ] [ 2.703043e-10 4.198802e-10 1.427674e-10 ] [ 1.54274e-10 3.831579e-10 3.120531e-10 ] [ 4.586348e-10 2.503005e-10 1.027399e-10 ] [ 4.020521e-10 2.853252e-10 3.469677e-10 ] [ 5.359849e-10 4.671518e-10 1.954564e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.2255256 -3.6277154 -0.6427243 ] [ -2.1837231 4.7673394 -5.2126857 ] [ -3.5309483 1.5684413 2.3004896 ] [ 1.8969148 -1.7468959 -2.5924155 ] [ 3.770116 -2.2049984 6.2093027 ] [ 1.2731663 1.2438291 -0.0619668 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.963508464511893e-09 -5.812240800796121e-09 -1.029757847080046e-09 ] [ -3.4987100971209e-09 7.638119730098699e-09 -8.351643160118482e-09 ] [ -5.657202815513505e-09 2.512919981957159e-09 3.685790653513544e-09 ] [ 3.039192544209508e-09 -2.798835769951375e-09 -4.153507505499542e-09 ] [ 6.040391712904012e-09 -3.532796885381407e-09 9.948399617410316e-09 ] [ 2.039837280250439e-09 1.992833904290705e-09 -9.928175822578945e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -9.8441571 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.577207835710233e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8167465 1.8051239 2.6570717 ] [ 2.8016047 5.3625599 1.7188327 ] [ 1.2981808 3.587096 2.2784833 ] [ 4.3332821 2.151763 0.7627859 ] [ 4.5261139 2.9934471 3.9510226 ] [ 4.8939791 4.2582422 1.8838177 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8167465e-10 1.8051239e-10 2.6570717e-10 ] [ 2.8016047e-10 5.3625599e-10 1.7188327e-10 ] [ 1.2981808e-10 3.587096e-10 2.2784833e-10 ] [ 4.3332821e-10 2.151763e-10 7.627859000000001e-11 ] [ 4.5261139e-10 2.9934471e-10 3.9510226e-10 ] [ 4.8939791e-10 4.2582422e-10 1.8838177e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.4e-06 2.77e-05 5e-07 ] [ -1.19e-05 2.44e-05 -4.7e-06 ] [ 5.27e-05 -2.61e-05 1.9e-06 ] [ -8.6e-06 -3.6e-06 1.5e-06 ] [ -1.01e-05 4.6e-06 -2.49e-05 ] [ -2.08e-05 -2.7e-05 2.57e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.24304726912e-15 4.438029239616e-14 8.010883104e-16 ] [ -1.906590178752e-14 3.909310954752e-14 -7.53023011776e-15 ] [ 8.443470791616e-14 -4.181680980288e-14 3.04413557952e-15 ] [ -1.377871893888e-14 -5.76783583488e-15 2.4032649312e-15 ] [ -1.618198387008e-14 7.370012455680001e-15 -3.989419785791999e-14 ] [ -3.332527371264e-14 -4.32587687616e-14 4.117593915456e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.186062 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.753510674001929e-18 } }