{ "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" [ [ 0.0317926 0.0463887 1.270674 ] [ 0.0111454 2.887791 2.968384 ] [ 2.5478 0.1715431 0.0845133 ] [ 1.93577 0.0052704 2.481441 ] [ 2.875434 2.93696 0.1676441 ] [ 2.282488 2.689422 2.770272 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.17926e-12 4.63887e-12 1.270674e-10 ] [ 1.11454e-12 2.887791e-10 2.968384e-10 ] [ 2.5478e-10 1.715431e-11 8.451330000000001e-12 ] [ 1.93577e-10 5.270399999999999e-13 2.481441e-10 ] [ 2.875434e-10 2.93696e-10 1.676441e-11 ] [ 2.282488e-10 2.689422e-10 2.770272e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.8135007 1.2480036 -1.065772 ] [ -0.7503534 -1.1458025 -0.6337102 ] [ -1.9626027 2.4354748 1.725659 ] [ 1.6371299 2.1592422 0.3602439 ] [ -0.758855 -2.750094 2.0805036 ] [ 1.0211805 -1.9468242 -2.4669242 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.303371802544435e-09 1.999522190594235e-09 -1.707554981503257e-09 ] [ -1.202198674817791e-09 -1.835777977554192e-09 -1.015315666802492e-09 ] [ -3.144436161858956e-09 3.902060785107556e-09 2.764810505273107e-09 ] [ 2.622971250992642e-09 3.459487371484758e-09 5.771743543658131e-10 ] [ -1.215819739577184e-09 -4.406136311802355e-09 3.333334227410235e-09 ] [ 1.636111522716855e-09 -3.119156218047663e-09 -3.952448278525743e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.031232 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.087833525062082e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.4133281 1.2127532 0.7978059 ] [ 0.0915463 2.0032259 3.1708854 ] [ 2.9227644 0.4126693 0.7595169 ] [ 1.5613785 0.0285738 2.8517253 ] [ 2.2684186 2.6174006 -0.1745736 ] [ 2.4269941 2.4627526 2.3375684 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.133281e-11 1.2127532e-10 7.978059e-11 ] [ 9.15463e-12 2.0032259e-10 3.1708854e-10 ] [ 2.9227644e-10 4.126693e-11 7.595169000000001e-11 ] [ 1.5613785e-10 2.85738e-12 2.8517253e-10 ] [ 2.2684186e-10 2.6174006e-10 -1.745736e-11 ] [ 2.4269941e-10 2.4627526e-10 2.3375684e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.35e-05 1.25e-05 2.2e-05 ] [ -9.9e-06 1.51e-05 1.6e-06 ] [ -1.74e-05 2.13e-05 8.7e-06 ] [ 5.7e-06 1.12e-05 -2.42e-05 ] [ -1.82e-05 -2.17e-05 4.5e-05 ] [ -2.38e-05 -3.84e-05 -5.3e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.017382154208e-13 2.002720776e-14 3.52478856576e-14 ] [ -1.586154854592e-14 2.419286697408e-14 2.56348259328e-15 ] [ -2.787787320192e-14 3.412636202304e-14 1.393893660096e-14 ] [ 9.13240673856e-15 1.794437815296e-14 -3.877267422336e-14 ] [ -2.915961449856e-14 -3.476723267136e-14 7.209794793600001e-14 ] [ -3.813180357504e-14 -6.152358223872e-14 -8.49153609024e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.784895 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.169889621398282e-18 } }