{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.3126518 0.5217928 0.1846885 ] [ 0.8333114 2.588069 2.680495 ] [ 2.642381 0.0430457 2.992394 ] [ 2.45603 2.243401 1.184533 ] [ 2.245972 1.834771 2.762862 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.126518e-11 5.217928e-11 1.846885e-11 ] [ 8.333114000000001e-11 2.588069e-10 2.680495e-10 ] [ 2.642381e-10 4.30457e-12 2.992394e-10 ] [ 2.45603e-10 2.243401e-10 1.184533e-10 ] [ 2.245972e-10 1.834771e-10 2.762862e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.1105757 2.4871636 1.3745774 ] [ -38.7840329 19.2549342 1.8562287 ] [ 3.812137 -23.1073381 9.0864554 ] [ 4.7046541 14.0972271 -46.1672358 ] [ 27.1566661 -12.7319868 33.8499744 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.983691663768595e-09 3.984875372024763e-09 2.20231577376005e-09 ] [ -6.213887077271802e-08 3.084980541028235e-08 2.974006225997977e-09 ] [ 6.10771677668665e-09 -3.702203687274109e-08 1.455810640782191e-08 ] [ 7.537686807970865e-09 2.258624767772818e-08 -7.396806584572079e-08 ] [ 4.350977552429192e-08 -2.03988915872942e-08 5.423363759835851e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 15.867746 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.542293166599272e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.5694738 0.7289955 -0.6677917 ] [ 0.6656545 3.0759657 2.9194469 ] [ 2.946243 -0.4302407 3.8635259 ] [ 1.5881416 2.2044051 0.7651504 ] [ 2.7208332 1.651954 2.9246409 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.694738000000001e-11 7.289955e-11 -6.677917e-11 ] [ 6.656545e-11 3.0759657e-10 2.9194469e-10 ] [ 2.946243e-10 -4.302407e-11 3.8635259e-10 ] [ 1.5881416e-10 2.2044051e-10 7.651504e-11 ] [ 2.7208332e-10 1.651954e-10 2.9246409e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.62e-05 -1.33e-05 3.7e-06 ] [ -2.43e-05 -2.36e-05 1.3e-05 ] [ -1.89e-05 1.46e-05 1.65e-05 ] [ 2.8e-05 3.99e-05 -9.6e-06 ] [ 3.13e-05 -1.77e-05 -2.35e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.595526125696e-14 -2.130894905664e-14 5.928053496960001e-15 ] [ -3.893289188544e-14 -3.781136825088e-14 2.08282960704e-14 ] [ -3.028113813312e-14 2.339177866368e-14 2.64359142432e-14 ] [ 4.48609453824e-14 6.392684716992e-14 -1.538089555968e-14 ] [ 5.014812823104e-14 -2.835852618816e-14 -3.76511505888e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.140566 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.624697776687937e-18 } }