{ "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" [ [ 1.173582 1.448006 2.849718 ] [ 1.983285 3.621531 1.348175 ] [ 2.327062 3.623818 3.682153 ] [ 3.341801 1.495458 1.660386 ] [ 3.963915 2.011825 3.715692 ] [ 4.47485 3.510245 1.32465 ] [ 4.551743 4.234559 4.054178 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.173582e-10 1.448006e-10 2.849718e-10 ] [ 1.983285e-10 3.621531e-10 1.348175e-10 ] [ 2.327062e-10 3.623818e-10 3.682153e-10 ] [ 3.341801e-10 1.495458e-10 1.660386e-10 ] [ 3.963915e-10 2.011825e-10 3.715692e-10 ] [ 4.47485e-10 3.510245e-10 1.32465e-10 ] [ 4.551743e-10 4.234559e-10 4.054178000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.126483 0.7841363 -0.1638287 ] [ -1.1672298 -0.0987395 -1.394369 ] [ -3.7109729 2.4041652 1.8050325 ] [ -0.6776018 -3.7955267 -4.0398479 ] [ 2.3790714 -3.2646872 3.2450923 ] [ 0.8148935 2.085188 1.5655906 ] [ 2.2353565 1.885464 -1.0176699 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.026481055286464e-10 1.256324847380615e-09 -2.62482512956057e-10 ] [ -1.87010829666106e-09 -1.581981184494816e-10 -2.234025412568275e-09 ] [ -5.945634020802376e-09 3.851897275980956e-09 2.891980871284176e-09 ] [ -1.085637762171998e-09 -6.081104142362175e-09 -6.472549856967976e-09 ] [ 3.811692576293925e-09 -5.230605506065014e-09 5.1992110153981e-09 ] [ 1.305603314141885e-09 3.340839463572711e-09 2.508352657064244e-09 ] [ 3.581435923453315e-09 3.020846340160051e-09 -1.630486921471874e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.300043 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.412643091663469e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4807731 1.6235649 3.0048767 ] [ 1.7877482 3.3409425 1.1493709 ] [ 2.2726631 4.0101897 3.5969566 ] [ 3.3305542 1.3188294 1.2809421 ] [ 3.9501804 1.811534 3.7399981 ] [ 4.283943 3.6788631 1.722499 ] [ 4.7103759 4.1615184 4.1403085 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4807731e-10 1.6235649e-10 3.0048767e-10 ] [ 1.7877482e-10 3.3409425e-10 1.1493709e-10 ] [ 2.2726631e-10 4.0101897e-10 3.5969566e-10 ] [ 3.3305542e-10 1.3188294e-10 1.2809421e-10 ] [ 3.9501804e-10 1.811534e-10 3.7399981e-10 ] [ 4.283943e-10 3.6788631e-10 1.722499e-10 ] [ 4.7103759e-10 4.1615184e-10 4.1403085e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.6e-06 -4.42e-05 -3.2e-05 ] [ -3.04e-05 -2.12e-05 1.85e-05 ] [ -3.87e-05 9.48e-05 2.77e-05 ] [ -2.03e-05 -2.04e-05 -4.36e-05 ] [ 2.29e-05 -4.94e-05 6.33e-05 ] [ 7.28e-05 4.23e-05 -1.8e-06 ] [ 2.3e-06 -1.9e-06 -3.21e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.377871893888e-14 -7.081620663936001e-14 -5.12696518656e-14 ] [ -4.870616927232e-14 -3.396614436096001e-14 2.96402674848e-14 ] [ -6.200423522496e-14 1.5188634365184e-13 4.438029239616e-14 ] [ -3.252418540224e-14 -3.268440306432e-14 -6.985490066688e-14 ] [ 3.668984461632e-14 -7.914752506752001e-14 1.0141778009664e-13 ] [ 1.1663845799424e-13 6.777207105984e-14 -2.88391791744e-15 ] [ 3.68500622784e-15 -3.04413557952e-15 -5.142986952768e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.005399 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.84608890507757e-18 } }