{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.61188 5.080623 2.93239 ] [ 4.855786 1.762639 3.084137 ] [ 3.780411 3.32193 1.747479 ] [ 4.346291 4.090656 3.759617 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.61188e-10 5.080623e-10 2.93239e-10 ] [ 4.855786000000001e-10 1.762639e-10 3.084137e-10 ] [ 3.780411e-10 3.32193e-10 1.747479e-10 ] [ 4.346291e-10 4.090656e-10 3.759617e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.0015485 0.9834163 -0.7680119 ] [ -0.0215651 -0.0693309 0.378295 ] [ -0.5391143 -0.396091 -2.1741119 ] [ 2.5622279 -0.5179945 2.5638288 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.206834212097309e-09 1.575606604373639e-09 -1.230490710676187e-09 ] [ -3.455109904521409e-11 -1.110803470790227e-10 6.06095404765536e-10 ] [ -8.637563273989576e-10 -6.346077399092928e-10 -3.483311257183068e-09 ] [ 4.10514163854148e-09 -8.299186776029857e-10 4.107706563093719e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -3.1153946203271197 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.991412425254204e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.9476493 4.926253 2.7782318 ] [ 4.8495344 2.2016706 2.9835799 ] [ 3.3833315 3.0904577 1.3706178 ] [ 4.4138528 4.0374667 4.3911935 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9476493e-10 4.926253e-10 2.7782318e-10 ] [ 4.8495344e-10 2.2016706e-10 2.9835799e-10 ] [ 3.3833315e-10 3.0904577e-10 1.3706178e-10 ] [ 4.4138528e-10 4.0374667e-10 4.3911935e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.1e-06 1.1e-06 -8e-07 ] [ -5e-07 2.1e-06 1.4e-06 ] [ -1e-07 -8e-07 -1e-06 ] [ 1.7e-06 -2.4e-06 4e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.76239428288e-15 1.76239428288e-15 -1.28174129664e-15 ] [ -8.010883104e-16 3.36457090368e-15 2.24304726912e-15 ] [ -1.6021766208e-16 -1.28174129664e-15 -1.6021766208e-15 ] [ 2.72370025536e-15 -3.84522388992e-15 6.408706483200001e-16 ] ] } "relaxed-potential-energy" { "source-value" -3.86421462032712 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.19115432244166e-19 } }