{ "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" [ [ 2.719922 0.6324479 2.001085 ] [ 1.570016 2.535953 2.950979 ] [ 1.512501 2.471908 5.050939 ] [ 3.556391 2.380181 1.668166 ] [ 3.168972 1.023761 5.396195 ] [ 4.64835 1.331065 3.67677 ] [ 3.603196 3.529371 4.833641 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.719922e-10 6.324478999999999e-11 2.001085e-10 ] [ 1.570016e-10 2.535953e-10 2.950979e-10 ] [ 1.512501e-10 2.471908e-10 5.050939e-10 ] [ 3.556391e-10 2.380181e-10 1.668166e-10 ] [ 3.168972e-10 1.023761e-10 5.396195e-10 ] [ 4.64835e-10 1.331065e-10 3.67677e-10 ] [ 3.603196e-10 3.529371e-10 4.833641e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.905692 -8.4820146 1.6430201 ] [ -0.8757547 0.4080774 -4.3556599 ] [ -1.0208947 0.884519 4.1230168 ] [ 4.9637414 7.9135293 -1.0049407 ] [ 0.8996551 -0.9986794 0.659829 ] [ -0.1798638 0.78909 -1.0080508 ] [ 0.1188087 -0.5145216 -0.0572145 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.257608410445594e-09 -1.358968548940426e-08 2.632408391724478e-09 ] [ -1.403113705895718e-09 6.538120697568499e-10 -6.978536459936067e-09 ] [ -1.63565362063863e-09 1.417155662453395e-09 6.605801124125631e-09 ] [ 7.952790422777061e-09 1.267887163247579e-08 -1.610092494830386e-09 ] [ 1.441406368003486e-09 -1.600060786354572e-09 1.057162597525843e-09 ] [ -2.88173575288247e-10 1.264261549707072e-09 -1.615075424338737e-09 ] [ 1.90352521487641e-10 -8.243544784166093e-10 -9.16677342707616e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -17.545916 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.811165640572065e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7916301 0.4511584 2.1877319 ] [ 1.3698111 2.3150568 2.6882044 ] [ 1.5252808 2.7243133 4.9817493 ] [ 3.531715 2.7160385 1.7334704 ] [ 3.1291305 0.9943164 5.4536943 ] [ 4.5616092 1.4417405 3.5341514 ] [ 3.8701713 3.2620631 4.9987733 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7916301e-10 4.511584e-11 2.1877319e-10 ] [ 1.3698111e-10 2.3150568e-10 2.6882044e-10 ] [ 1.5252808e-10 2.7243133e-10 4.9817493e-10 ] [ 3.531715e-10 2.7160385e-10 1.7334704e-10 ] [ 3.1291305e-10 9.943164e-11 5.453694300000001e-10 ] [ 4.561609200000001e-10 1.4417405e-10 3.5341514e-10 ] [ 3.8701713e-10 3.262063100000001e-10 4.9987733e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.22e-05 -3.08e-05 1.36e-05 ] [ -3.65e-05 5.9e-06 2.72e-05 ] [ -3.4e-06 1.8e-06 -4.27e-05 ] [ 5.57e-05 6e-06 -1.65e-05 ] [ 4.63e-05 -1.08e-05 -3.14e-05 ] [ -6.5e-06 1.63e-05 8e-06 ] [ -1.34e-05 1.16e-05 4.19e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.761185339776e-14 -4.934703992064001e-14 2.178960204288e-14 ] [ -5.84794466592e-14 9.45284206272e-15 4.357920408576e-14 ] [ -5.44740051072e-15 2.88391791744e-15 -6.841294170816001e-14 ] [ 8.924123777856e-14 9.6130597248e-15 -2.64359142432e-14 ] [ 7.418077754303999e-14 -1.730350750464e-14 -5.030834589312e-14 ] [ -1.04141480352e-14 2.611547891904e-14 1.28174129664e-14 ] [ -2.146916671872e-14 1.858524880128e-14 6.713120041152e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.165398 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.391070584552708e-18 } }