{ "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" [ [ 2.750115 2.05781 3.008489 ] [ 2.459373 1.512643 5.182306 ] [ 3.045421 4.403069 3.012822 ] [ 1.351279 3.64529 4.777489 ] [ 4.685264 1.369475 1.888704 ] [ 3.677702 3.202643 0.9471066 ] [ 3.576002 3.111527 4.892003 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.750115e-10 2.05781e-10 3.008489e-10 ] [ 2.459373e-10 1.512643e-10 5.182306e-10 ] [ 3.045421e-10 4.403069e-10 3.012822e-10 ] [ 1.351279e-10 3.64529e-10 4.777489e-10 ] [ 4.685264e-10 1.369475e-10 1.888704e-10 ] [ 3.677702e-10 3.202643e-10 9.471066000000001e-11 ] [ 3.576002e-10 3.111527e-10 4.892003e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.6424493 -3.4253064 -13.3259594 ] [ -4.0134506 -11.3060608 4.3572373 ] [ 0.7894819 -4.4877119 -0.6379152 ] [ -1.393559 3.0604135 -0.2893695 ] [ -8.7440689 9.171205 -1.620542 ] [ 3.7471857 -6.5206244 5.616101 ] [ 7.9719616 13.508085 5.9004477 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.631493869309326e-09 -5.487945833156614e-09 -2.135054060041e-08 ] [ -6.430256720055732e-09 -1.811430628710334e-08 6.981063733337717e-09 ] [ 1.264889442724763e-09 -7.190107087065947e-09 -1.022052819492956e-09 ] [ -2.232727649505427e-09 4.903322959680701e-09 -4.636210476725856e-10 ] [ -1.400954276224437e-08 1.469389023556407e-08 -2.596394505424474e-09 ] [ 6.003653322336082e-09 -1.044719196669803e-08 8.9979857222515e-09 ] [ 1.277249049743536e-08 2.164233797877917e-08 9.453559357193134e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.9822044 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.118672465132689e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.1810039 0.6149343 3.3621988 ] [ 2.0137899 1.2061446 5.1269035 ] [ 3.8780148 4.7870511 2.6453436 ] [ 1.4014369 3.260544 5.6678975 ] [ 3.9538921 1.3933768 1.4487775 ] [ 4.2969615 3.5036153 0.8996256 ] [ 2.8200569 4.536791 4.5581732 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.1810039e-10 6.149343e-11 3.3621988e-10 ] [ 2.0137899e-10 1.2061446e-10 5.1269035e-10 ] [ 3.8780148e-10 4.7870511e-10 2.6453436e-10 ] [ 1.4014369e-10 3.260544e-10 5.6678975e-10 ] [ 3.9538921e-10 1.3933768e-10 1.4487775e-10 ] [ 4.2969615e-10 3.5036153e-10 8.996256000000001e-11 ] [ 2.8200569e-10 4.536791e-10 4.5581732e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.3163654 -0.3096702 -0.7606336 ] [ -0.5752384 0.5839182 0.4752743 ] [ 0.1919907 0.0821918 -0.5892524 ] [ 0.7428198 -0.559142 -0.367311 ] [ -0.0558107 0.0971971 0.2072705 ] [ -0.1080556 -0.2339516 0.5724734 ] [ -0.5120713 0.3394566 0.4621788 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.068732475100404e-10 -4.961463545984601e-10 -1.218669370914939e-09 ] [ -9.216335158663988e-10 9.355400884996187e-10 7.614733719270854e-10 ] [ 3.076030109510265e-10 1.316857803814694e-10 -9.4408641903029e-10 ] [ 1.190128517027332e-09 -8.958442401073537e-10 -5.884970967626688e-10 ] [ -8.941859873048256e-11 1.557269212295597e-10 3.320839492815264e-10 ] [ -1.731241560665165e-10 -3.748317839187533e-10 9.172034975098868e-10 ] [ -8.204286650426631e-10 5.438694282962573e-10 7.404920679893991e-10 ] ] } "relaxed-potential-energy" { "source-value" -17.746058 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.843231923896081e-18 } }