{ "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" [ [ 2.596447 0.5894877 3.838334 ] [ 1.369077 2.86119 3.866131 ] [ 2.011058 5.105046 2.796353 ] [ 3.116098 2.834339 2.386368 ] [ 3.638135 2.33604 4.892399 ] [ 3.921466 4.7829 1.89112 ] [ 5.122204 3.316972 3.335617 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.596447e-10 5.894877e-11 3.838334e-10 ] [ 1.369077e-10 2.86119e-10 3.866131e-10 ] [ 2.011058e-10 5.105046e-10 2.796353e-10 ] [ 3.116098e-10 2.834339e-10 2.386368e-10 ] [ 3.638135e-10 2.33604e-10 4.892399e-10 ] [ 3.921466e-10 4.7829e-10 1.89112e-10 ] [ 5.122204e-10 3.316972e-10 3.335617e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.4696117 0.0245506 -0.161047 ] [ -0.2323798 0.2249287 0.5798392 ] [ -3.2730638 0.3925815 1.5277666 ] [ -2.1860556 -4.2285793 -1.1353167 ] [ 0.2726228 0.2965019 0.232717 ] [ 4.1420169 2.9328187 -2.0924043 ] [ 1.7464712 0.3571981 1.0484452 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.524008865941434e-10 3.933439734661248e-11 -2.580257382499776e-10 ] [ -3.723134827061798e-10 3.60375504486937e-10 9.290048100633753e-10 ] [ -5.244026298746808e-09 6.289849010585953e-10 2.447751928559106e-09 ] [ -3.502447174088917e-09 -6.77493089365883e-09 -1.818977873943807e-09 ] [ 4.367898764570342e-10 4.750484122027795e-10 3.728537366627136e-10 ] [ 6.636242640138491e-09 4.698893554185049e-09 -3.35240125072139e-09 ] [ 2.798155325540521e-09 5.722944448141805e-10 1.67979438762998e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.741693 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.842532573801102e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4907106 1.1416849 3.4874275 ] [ 1.455144 3.0769615 4.3543199 ] [ 1.7149238 4.8278697 2.8384973 ] [ 3.5036105 2.3837628 1.7880615 ] [ 3.6507395 2.4767847 5.1162465 ] [ 3.8965964 4.7366031 2.0167131 ] [ 5.0627603 3.182308 3.4050562 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4907106e-10 1.1416849e-10 3.4874275e-10 ] [ 1.455144e-10 3.0769615e-10 4.3543199e-10 ] [ 1.7149238e-10 4.8278697e-10 2.8384973e-10 ] [ 3.5036105e-10 2.3837628e-10 1.7880615e-10 ] [ 3.6507395e-10 2.4767847e-10 5.1162465e-10 ] [ 3.8965964e-10 4.7366031e-10 2.0167131e-10 ] [ 5.0627603e-10 3.182308e-10 3.4050562e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0261069 -0.094051 0.0395899 ] [ -0.0563263 0.271073 0.1739303 ] [ -0.1013026 0.1301755 -0.0272678 ] [ 0.1789364 -0.2186159 -0.418142 ] [ -0.1137886 -0.1381935 0.0015323 ] [ -0.1920988 -0.1433458 0.1949544 ] [ 0.3106868 0.1929576 0.0354029 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.182786482156352e-11 -1.506863133628608e-10 6.343001219980991e-11 ] [ -9.024468099616705e-11 4.343068231301184e-10 2.786670603087303e-10 ] [ -1.623046573462541e-10 2.085641427009504e-10 -4.368783166065023e-11 ] [ 2.866877166901171e-10 -3.502612839151507e-10 -6.699373365745536e-10 ] [ -1.823094346335629e-10 -2.214103948465248e-10 2.45501523605184e-12 ] [ -3.07776206243735e-10 -2.296652894498726e-10 3.123513818020916e-10 ] [ 4.977751273511654e-10 3.091521555256781e-10 5.672169868852032e-11 ] ] } "relaxed-potential-energy" { "source-value" -21.831697 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.497823452578949e-18 } }