{ "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" [ [ 1.971858 1.613185 3.540739 ] [ 1.980532 3.696797 1.101352 ] [ 1.421419 3.841396 3.166588 ] [ 2.933735 5.314328 3.389927 ] [ 3.610376 2.128489 1.767833 ] [ 4.452161 4.502678 1.60274 ] [ 4.038762 3.260824 3.402783 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.971858e-10 1.613185e-10 3.540739e-10 ] [ 1.980532e-10 3.696797e-10 1.101352e-10 ] [ 1.421419e-10 3.841396e-10 3.166588e-10 ] [ 2.933735e-10 5.314328e-10 3.389927e-10 ] [ 3.610376e-10 2.128489e-10 1.767833e-10 ] [ 4.452161e-10 4.502678000000001e-10 1.60274e-10 ] [ 4.038762e-10 3.260824e-10 3.402783e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.1187465 -5.5357553 3.4915895 ] [ -7.1291337 0.6166522 -13.593612 ] [ -14.208316 2.3275359 4.8150006 ] [ 1.2635487 10.4313298 5.6057873 ] [ 2.8562367 -12.7708004 -9.3893649 ] [ 6.3771003 7.345899 -6.8201138 ] [ 13.9593105 -2.4148613 15.8907134 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.996782728501827e-09 -8.869257720129691e-09 5.594143066330761e-09 ] [ -1.14221313406974e-08 9.879857380048857e-10 -2.177936733862633e-08 ] [ -2.276423171613857e-08 3.729123603052687e-09 7.714481390457974e-09 ] [ 2.024428186382233e-09 1.671283272941434e-08 8.981461353237557e-09 ] [ 4.576195664210944e-09 -2.046107782978329e-08 -1.504342092694013e-08 ] [ 1.021724100915667e-08 1.17694276365581e-08 -1.092702688155545e-08 ] [ 2.236528092558796e-08 -3.869034317334695e-09 2.545972949731328e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -8.0242209 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.285621912611473e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9088638 1.817474 3.8023857 ] [ 2.3239115 3.5634326 0.7600669 ] [ 1.2463552 3.9531534 2.9212267 ] [ 3.3388763 5.0391214 3.5736412 ] [ 3.5051594 1.7244596 1.7434439 ] [ 3.7940172 5.3920761 1.2474858 ] [ 4.2916596 2.8679799 3.9237119 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9088638e-10 1.817474e-10 3.8023857e-10 ] [ 2.3239115e-10 3.5634326e-10 7.600669e-11 ] [ 1.2463552e-10 3.9531534e-10 2.9212267e-10 ] [ 3.3388763e-10 5.0391214e-10 3.5736412e-10 ] [ 3.5051594e-10 1.7244596e-10 1.7434439e-10 ] [ 3.7940172e-10 5.392076099999999e-10 1.2474858e-10 ] [ 4.2916596e-10 2.8679799e-10 3.9237119e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.8e-06 -3.56e-05 1.02e-05 ] [ -8.6e-06 0.0 -1.8e-06 ] [ 9.3e-06 9.2e-06 -1.57e-05 ] [ 3.8e-06 1.41e-05 9.5e-06 ] [ -4.9e-06 -9.4e-06 1.92e-05 ] [ 7.6e-06 2.31e-05 -8.3e-06 ] [ -5.3e-06 -1.4e-06 -1.3e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.88391791744e-15 -5.703748770048e-14 1.634220153216e-14 ] [ -1.377871893888e-14 0.0 -2.88391791744e-15 ] [ 1.490024257344e-14 1.474002491136e-14 -2.515417294656e-14 ] [ 6.08827115904e-15 2.259069035328e-14 1.52206778976e-14 ] [ -7.850665441919999e-15 -1.506046023552e-14 3.076179111936e-14 ] [ 1.217654231808e-14 3.701027994048e-14 -1.329806595264e-14 ] [ -8.491536090240001e-15 -2.24304726912e-15 -2.08282960704e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.086282 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.057959479839587e-18 } }