{ "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" [ [ 2.975716 3.919 3.294603 ] [ 5.229011 2.380728 1.260294 ] [ 3.72512 0.5184044 0.8589665 ] [ 3.15133 1.64182 3.064405 ] [ 5.039876 3.004083 3.766304 ] [ 5.090657 4.730463 1.850516 ] [ 3.207695 3.468122 0.7711985 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.975716e-10 3.919e-10 3.294603e-10 ] [ 5.229011e-10 2.380728e-10 1.260294e-10 ] [ 3.72512e-10 5.184044e-11 8.589665e-11 ] [ 3.151330000000001e-10 1.64182e-10 3.064405e-10 ] [ 5.039876e-10 3.004083e-10 3.766304e-10 ] [ 5.090657000000001e-10 4.730463000000001e-10 1.850516e-10 ] [ 3.207695e-10 3.468122e-10 7.711985e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -25.9238161 30.3239649 -5.4497023 ] [ 36.8708993 -14.0204855 -9.0306524 ] [ -9.4854459 -8.3976174 1.7170724 ] [ -19.6576779 -39.8768889 0.8280582 ] [ 33.1001996 0.1476723 10.7265116 ] [ 11.3755988 25.6510434 7.762689 ] [ -26.2797579 6.1723112 -6.5539765 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.153453207733864e-08 4.858434761273982e-08 -8.731385615379989e-09 ] [ 5.907369284633108e-08 -2.24632940803654e-08 -1.446870014585141e-08 ] [ -1.519735965884322e-08 -1.345446626870328e-08 2.751053255500946e-09 ] [ -3.149507195059684e-08 -6.388981910581902e-08 1.32669548870173e-09 ] [ 5.303236594293352e-08 2.365971065997639e-10 1.718576610826e-08 ] [ 1.822571844496054e-08 4.109750203460614e-08 1.243719883034133e-08 ] [ -4.21048137076641e-08 9.889132700941994e-09 -1.050062792157261e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 12.256522 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.963711300072086e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5907864 4.0227008 3.165053 ] [ 5.8557978 2.2836953 1.0215928 ] [ 3.4551476 0.823728 0.9704624 ] [ 2.9940525 1.2739701 3.5882305 ] [ 5.354657 2.773032 3.8667935 ] [ 5.0770501 4.9521534 1.9342966 ] [ 3.0919136 3.5333408 0.3198582 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5907864e-10 4.0227008e-10 3.165053e-10 ] [ 5.8557978e-10 2.2836953e-10 1.0215928e-10 ] [ 3.4551476e-10 8.237280000000001e-11 9.704624e-11 ] [ 2.9940525e-10 1.2739701e-10 3.5882305e-10 ] [ 5.354657e-10 2.773032000000001e-10 3.8667935e-10 ] [ 5.0770501e-10 4.9521534e-10 1.9342966e-10 ] [ 3.0919136e-10 3.5333408e-10 3.198582e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.23e-05 -2.28e-05 3e-07 ] [ -2.77e-05 -2.86e-05 -5.1e-06 ] [ 1.89e-05 2.13e-05 -3.92e-05 ] [ 2.17e-05 3.03e-05 4.72e-05 ] [ -6.6e-06 -2.36e-05 1.38e-05 ] [ -3.5e-06 1.99e-05 -1.34e-05 ] [ 1.94e-05 3.4e-06 -3.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.572853864384e-14 -3.652962695424e-14 4.8065298624e-16 ] [ -4.438029239616e-14 -4.582225135488e-14 -8.17110076608e-15 ] [ 3.028113813312e-14 3.412636202304e-14 -6.280532353535999e-14 ] [ 3.476723267136e-14 4.854595161024e-14 7.562273650176e-14 ] [ -1.057436569728e-14 -3.781136825088e-14 2.211003736704e-14 ] [ -5.6076181728e-15 3.188331475392e-14 -2.146916671872e-14 ] [ 3.108222644352e-14 5.44740051072e-15 -5.76783583488e-15 ] ] } "relaxed-potential-energy" { "source-value" -19.305738 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.093120207089015e-18 } }